SCHEMBL3671743

SCHEMBL3671743

CC(C(=O)O)c1ccc(C(=O)CCCCl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.50
PTGS2 P35354 9/20 0.47
PTGS1 P23219 7/20 0.47
CYP2C9 P11712 4/20 0.47
LMNA P02545 4/20 0.47
AKR1C3 P42330 2/20 0.47
CXCR1 P25024 2/20 0.47
CXCR2 P25025 2/20 0.47
ALB P02768 1/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.47
RARB P10826 1/20 0.47
ADRB3 P13945 1/20 0.47
NFKB1 P19838 1/20 0.47
HTR2A P28223 1/20 0.47
NR1I3 Q14994 1/20 0.47
SLC22A6 Q4U2R8 1/20 0.47
CXCL8 P10145 1/20 0.47
TSHR P16473 1/20 0.47
AKR1C2 P52895 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3668961 0.86 EPHX1 (0.49) USP5LMNANPC1L3MBTL1MAPT
SCHEMBL2923903 0.85 USP5 (0.64) USP5CYP2C9POLBKDM4EALDH1A1
SCHEMBL9861581 0.84 HSD17B3 (0.60) USP5PTGS2PTGS1CYP2C9LMNA
SCHEMBL3682043 0.82 USP5 (0.47) USP5LMNANPC1L3MBTL1MAPT
SCHEMBL8072880 0.82 USP5 (0.47) USP5LMNANPC1L3MBTL1MAPT
SCHEMBL27500904 0.82 NPC1 (0.49) USP5NPC1L3MBTL1TDP1
SCHEMBL11216812 0.81 USP5 (0.47) USP5PTGS2PTGS1CYP2C9LMNA
SCHEMBL27724305 0.81 USP5 (0.46) USP5LMNANPC1L3MBTL1MAPT
SCHEMBL9035605 0.80 TDP1 (0.58) LMNATSHRKDM4EALDH1A1HPGD
SCHEMBL3671788 0.80 L3MBTL1 (0.51) USP5NPC1L3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2261208-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-2261207-A1 Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives Aventisub II Inc. (US) 2010-12-15 EP disclosed
EP-1953142-A1 Process for the preparation of antihistaminic 4-diphenylmethyl piperidine derivatives Aventis Inc. (US) 2008-08-06 EP disclosed
US-6777555-B2 3-(OPTIONALLY HYDROXYL)-4-(CYCLOPROPYLCARBONYL)-CUMENE INTERMEDIATE MERRELL PHARMACEUTICALS, INC. 2004-08-17 US disclosed
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS, INC. 2003-11-27 US disclosed
US-6566526-B2 Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2003-05-20 US disclosed
US-6559312-B2 Cyclopropyl phenyl ketone compound MERRELL PHARMACEUTICALS INC. 2003-05-06 US disclosed
US-6555689-B2 Antiallergy agents and bronchodilators MERRELL PHARMACEUTICALS INC. 2003-04-29 US disclosed
US-6552200-B2 Antiallergens MERRELL PHARMACEUTICALS INC. 2003-04-22 US disclosed
US-6548675-B2 1-Cyclopropylcarbonyl-2-hydroxy(optional),4-isopropylbenzene used as starting materials for 1-((2-hydroxy(optional),4-alkylphenyl)carbonylalkyl-),4-(diphenylmethyl -)piperidine derivatives; antihistamines; antiallergens; bronchodilators MERRELL PHARMACEUTICALS INC. 2003-04-15 US disclosed
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2002-01-17 US disclosed
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2001-10-18 US disclosed
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-13 US disclosed
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-09-06 US disclosed
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. 2001-08-30 US disclosed
US-6242606-B1 REACTING A A,A-DIMETHYLPHENYLACETIC ACID AMIDE WITH A W-HALO COMPOUND PRODUCES W'-HALO-A-KETO-A,A-DIMETHYLPHENYLACETIC ACID AMIDE AND REACTING IT WITH A PIPERIDINE COMPOUND; 2-(4-(4-CHLORO-BUTYRYL)-PHENYL)-2-METHY-PROPIONIC ACID MERRELL PHARMACEUTICALS INC. 2001-06-05 US disclosed
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives CHATTEM INC. 2001-03-15 US disclosed
US-6147216-A Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2000-11-14 US disclosed
EP-0705245-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1996-04-10 EP disclosed
WO-1995000480-A1 NOVEL INTERMEDIATES FOR THE PREPARATION OF ANTIHISTAMINIC 4-DIPHENYLMETHYL/DIPHENYLMETHOXY PIPERIDINE DERIVATIVES MERRELL PHARMACEUTICALS INC. (US) 1995-01-05 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20010000038-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 USP5 1497/4885PTGS2 289/4885PTGS1 82/4885
US-20010020114-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 USP5 1505/4885PTGS2 358/4885PTGS1 91/4885
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 USP5 1497/4885PTGS2 289/4885PTGS1 82/4885
US-20010021791-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 USP5 1362/4885PTGS2 349/4885PTGS1 116/4885
US-20010031895-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH4, HRH3 USP5 1453/4885PTGS2 377/4885PTGS1 116/4885
US-20010018521-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 USP5 1388/4885PTGS2 312/4885PTGS1 92/4885
US-20020007085-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 USP5 1344/4885PTGS2 365/4885PTGS1 114/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.