SCHEMBL196946

SCHEMBL196946

NC(=O)C1(c2ccc(C(=O)O)cc2)CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
ALOX5 P09917 2/20 0.48
HRH3 Q9Y5N1 1/20 0.47
HDAC1 Q13547 4/20 0.45
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TP53 P04637 1/20 0.40
CYP26A1 O43174 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
SCHEMBL196949 0.86 POLB (0.56) POLBHDAC1MAPTNPC1CYP2C9
SCHEMBL2703559 0.84 ALDH1A1 (0.58) ALOX5HRH3HDAC1MAPTNPC1
SCHEMBL16424490 0.83 HDAC1 (0.53) POLBALOX5HRH3HDAC1MAPT
SCHEMBL2129826 0.83 BCL2L1 (0.46) HDAC1TSHRLMNAHDAC3HDAC7
SCHEMBL15349227 0.81 HDAC1 (0.53) ALOX5HRH3HDAC1MAPTNPC1
SCHEMBL3416397 0.81 LMNA (0.55) POLBALOX5HRH3HDAC1MAPT
SCHEMBL2701341 0.81 ALDH1A1 (0.54) POLBALOX5HRH3ALDH1A1LMNA
SCHEMBL2701756 0.81 ALOX5 (0.49) ALOX5HRH3HDAC1TSHRALDH1A1
SCHEMBL2701584 0.78 ALDH1A1 (0.59) POLBALOX5HRH3MAPTCYP2C9
SCHEMBL25933768 0.77 POLB (0.47) POLBHRH3MAPTNPC1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198299-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-06-12 US disclosed
US-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-02-23 US disclosed
US-8088771-B2 Cycloalkylidene and heterocycloalkylidene inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-01-03 US disclosed
EP-2326622-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-01 EP disclosed
WO-2010014611-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE HISTONE DEACETYLASE INHIBITOR COMPOUNDS GILEAD COLORADO, INC. (US) 2010-02-04 WO disclosed
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2010-01-28 US 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 (2 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-20120045412-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 POLB 718/4885ALOX5 3089/4885HRH3 609/4885
US-20100022543-A1 CYCLOALKYLIDENE AND HETEROCYCLOALKYLIDENE INHIBITOR COMPOUNDS HDAC1, HDAC11, HDAC2 POLB 718/4885ALOX5 3089/4885HRH3 609/4885

“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.