SCHEMBL1502278

SCHEMBL1502278

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B3 P37058 7/20 0.41
PDE4B Q07343 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HTR7 P34969 1/20 0.40
KMT2A Q03164 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39

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
SCHEMBL2763103 0.87 NPC1 (0.42) NPC1RAB9AL3MBTL1MAPTLMNA
SCHEMBL11986854 0.85 HSD17B3 (0.59) NPC1RAB9AL3MBTL1MAPTLMNA
SCHEMBL9926017 0.85 NPC1 (0.54) NPC1RAB9AMAPTLMNATDP1
SCHEMBL1502488 0.84 NPC1 (0.42) NPC1RAB9AL3MBTL1MAPTLMNA
SCHEMBL3680703 0.84 NPC1 (0.42) NPC1RAB9AL3MBTL1MAPTLMNA
SCHEMBL1502465 0.83 ALDH1A1 (0.43) NPC1RAB9AL3MBTL1MAPTLMNA
SCHEMBL4621264 0.78 NPC1 (0.40) NPC1RAB9AL3MBTL1MAPTLMNA
SCHEMBL8483350 0.77 KMT2A (0.42) NPC1RAB9AL3MBTL1MAPTLMNA
SCHEMBL19924831 0.76 ALDH1A1 (0.53) NPC1RAB9AMAPTLMNATDP1
SCHEMBL7452036 0.75 KMT2A (0.60) NPC1RAB9AMAPTLMNAHSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2289867-A2 A process for producing 4-(4-halo-1-oxybutyl)-alpha,alpha-dimethylbenzene acetic acid or alkyl esters thereof Jubilant Organosys Limited (IN) 2011-03-02 EP disclosed
US-20080227983-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION AMR TECHNOLOGY, INC. (US) 2008-09-18 US disclosed
US-7390906-B2 Forming ketone intermediates to terfenadine carboxylic acid metabolite; by use of pure regioisomer of 4-(Cyclopropyl-oxo-methyl)-alpha,alpha-dimethylphenylacetic acid AMR TECHNOLOGY, INC. (US) 2008-06-24 US disclosed
US-7238834-B2 Piperidine derivatives and process for their production AMR TECHNOLOGY, INC. (US) 2007-07-03 US disclosed
US-20060241303-A1 Piperidine derivatives and process for their production AMR TECHNOLOGY, INC. (US) 2006-10-26 US disclosed
US-7022880-B2 Piperidine derivatives and process for their production AMR TECHNOLOGY , INC. (US) 2006-04-04 US disclosed
US-20060052610-A1 Piperidine derivatives and process for their production AMR TECHNOLOGY, INC. (US) 2006-03-09 US disclosed
US-20050020628-A1 Piperidine derivatives and process for their production AMR TECHNOLOGY, INC. (US) 2005-01-27 US disclosed
US-6797826-B2 ACYLATING A STARTING COMPOUND CONTAINING CARBOXY OR AMIDE OR ESTER-ISOPROPYLBENZENE COMPOUND WITH AN CHLOROBUTANOYLHALIDE TO FORM MIXTURE OF REGIOISOMER, HYDROLYZING TO FORM SECOND MIXTURE AND RECOVERING SUBSTANTIALLY PURE RGIOISMOR AMR TECHNOLOGY, INC. 2004-09-28 US disclosed
EP-1369409-A1 Process for preparing compounds useful as intermediates ALBANY MOLECULAR RESEARCH, INC. (US) 2003-12-10 EP disclosed
US-5750703-A Piperidine derivatives and process for their production ALBANY MOLECULAR RESEARCH, INC. (US) 1998-05-12 US disclosed
US-5663412-A Aromatic ketones ALBANY MOLECULAR RESEARCH, INC. (US) 1997-09-02 US disclosed
US-5589487-A Piperidine derivatives and process for their production ALBANY MOLECULAR RESEARCH, INC. (US) 1996-12-31 US disclosed
US-5581011-A Aromatic ketones and processes for their preparation ALBANY MOLECULAR RESEARCH, INC. (US) 1996-12-03 US disclosed
US-5578610-A Piperidine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 1996-11-26 US disclosed
US-5569665-A Peptidyl derivatives and their use as metalloproteinases inhibitors CELLTECH LIMITED (GB) 1996-10-29 US disclosed
EP-0723958-A1 Synthesis of substantially pure terfenadine derivatives ALBANY MOLECULAR RESEARCH, INC. (US) 1996-07-31 EP disclosed
EP-0703902-A4 ALBANY MOLECULAR RES INC (US) 1996-04-10 EP disclosed
EP-0703902-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION ALBANY MOLECULAR RESEARCH, INC. (US) 1996-04-03 EP disclosed
WO-1995000482-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION ALBANY MOLECULAR RESEARCH, 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 (4 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-20060241303-A1 Piperidine derivatives and process for their production HRH4, DRD4, H1-4 NPC1 3145/4885RAB9A 1528/4885L3MBTL1 3895/4885
US-20060052610-A1 Piperidine derivatives and process for their production HRH4, DRD4, H1-4 NPC1 3145/4885RAB9A 1528/4885L3MBTL1 3895/4885
US-20080227983-A1 PIPERIDINE DERIVATIVES AND PROCESS FOR THEIR PRODUCTION HRH4, DRD4, H1-4 NPC1 3275/4885RAB9A 1485/4885L3MBTL1 3818/4885
US-20050020628-A1 Piperidine derivatives and process for their production DRD4, HRH4, H1-4 NPC1 3293/4885RAB9A 1550/4885L3MBTL1 3821/4885

“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.