SCHEMBL2763102

SCHEMBL2763102

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
DPP4 P27487 1/20 0.41
MDM2 Q00987 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40

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
SCHEMBL2763201 0.83 LDHA (0.45) LDHANPC1RAB9AL3MBTL1TDP1
SCHEMBL2762921 0.83 THRA (0.45) LDHANPC1RAB9AL3MBTL1TDP1
SCHEMBL318807 0.76 TDP1 (0.72) NPC1RAB9AL3MBTL1TDP1LMNA
SCHEMBL30877184 0.75 LDHA (0.68) LDHALMNAMDM2
SCHEMBL28335229 0.74 ANPEP (0.58) LDHAL3MBTL1TDP1MDM2ANPEP
SCHEMBL17158521 0.73 GSK3B (0.55) NPC1RAB9AL3MBTL1TDP1LMNA
SCHEMBL7452036 0.73 KMT2A (0.60) NPC1RAB9ALMNAMAPTHSD17B3
SCHEMBL318515 0.73 NPC1 (0.77) NPC1RAB9AL3MBTL1HTR7
SCHEMBL12139286 0.73 GSK3B (0.64) NPC1RAB9AL3MBTL1TDP1LMNA
Ethylene SCHEMBL8094844 0.73 TDP1 (0.67) NPC1RAB9AL3MBTL1TDP1LMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091938-B1 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF AVENTISUB II INC (US) 2010-10-20 EP disclosed
US-6930197-B2 Antihistaminic piperidine derivatives and intermediates for the preparation thereof AVENTIS PHARMACEUTICALS INC. (US) 2005-08-16 US disclosed
US-6730791-B2 FOR THERAPY OF ALLERGIES AVENTIS PHARMACEUTICALS INC. 2004-05-04 US disclosed
US-6700012-B2 FOR THERAPY OF ALLERGIC DISORDERS AVENTIS PHARMACEUTICALS INC. 2004-03-02 US disclosed
US-6689898-B2 FOR THERAPY OF ALLERGIES AVENTIS PHARMACEUTICALS INC. 2004-02-10 US disclosed
US-6683094-B2 4-(1-HYDROXY-4-(4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINYL)BUTYL) -ALPHA-(HYDROXYMETHYL)-ALPHA-METHYL-BENZENEACETIC ACID DERIVATIVES AVENTIS PHARMACEUTICALS INC. 2004-01-27 US disclosed
US-6673933-B2 1-(3-(4-(1,1-BIS(ALKYOXYCARBONYL)ALKYL)PHENYL)CARBONYLPROPYL), 4-(HYDROXYDIPHENYLMETHYL)PIPERIDINE AVENTIS PHARMACEUTICAL INC. 2004-01-06 US disclosed
US-20030022919-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2003-01-30 US disclosed
US-20020111513-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2002-08-15 US disclosed
US-20020099088-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2002-07-25 US disclosed
US-20020099090-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2002-07-25 US disclosed
US-20020099077-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2002-07-25 US disclosed
US-20020099091-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof CHATTEM INC. 2002-07-25 US disclosed
EP-1091938-A2 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF Aventis Pharmaceuticals Inc. (US) 2001-04-18 EP disclosed
WO-2000001671-A2 ANTIHISTAMINIC PIPERIDINE DERIVATIVES AND INTERMEDIATES FOR THE PREPARATION THEREOF AVENTIS PHARMACEUTICALS INC. (US) 2000-01-13 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 (6 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-20020099088-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH2, HRH1, HRH4 LDHA 1529/4885NPC1 1460/4885RAB9A 3030/4885
US-20020111513-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 LDHA 2111/4885NPC1 895/4885RAB9A 2598/4885
US-20020099077-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 LDHA 1963/4885NPC1 708/4885RAB9A 1808/4885
US-20030022919-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 LDHA 2206/4885NPC1 860/4885RAB9A 1981/4885
US-20020099091-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 LDHA 2136/4885NPC1 976/4885RAB9A 2788/4885
US-20020099090-A1 Novel antihistaminic piperidine derivatives and intermediates for the preparation thereof HRH1, HRH2, HRH4 LDHA 2277/4885NPC1 830/4885RAB9A 2449/4885

“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.