SCHEMBL15919061

SCHEMBL15919061

CCOC(=O)C1CC=C(c2ccc3cc(OC)ccc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 11/20 0.45
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 6/20 0.43
KDM4E B2RXH2 5/20 0.43
TSHR P16473 5/20 0.43
GAA P10253 5/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPK1 P28482 3/20 0.43
HPGD P15428 2/20 0.43
CASP1 P29466 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL19737302 0.84 PTPN11 (0.46) NPC1RAB9AALDH1A1KDM4EHSD17B10
SCHEMBL20103362 0.81 ALDH1A1 (0.44) NPC1RAB9AALDH1A1POLBTDP1
SCHEMBL20103466 0.81 CDK9 (0.46) NPC1RAB9AALDH1A1POLBTDP1
SCHEMBL30342999 0.80 ALDH1A1 (0.42) ALDH1A1POLBTDP1MEN1KMT2A
SCHEMBL1289692 0.79 ALDH1A1 (0.47) NPC1RAB9AALDH1A1POLBTDP1
SCHEMBL2511600 0.79 CDK9 (0.52) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL38657760 0.79 ALOX15 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL15897676 0.79 ALDH1A1 (0.46) ALDH1A1POLBMEN1KMT2AMAPT
SCHEMBL2511601 0.79 CDK9 (0.52) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL16477199 0.79 ALOX15 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-31 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 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-20140213538-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 NPC1 383/4885RAB9A 2005/4885ALDH1A1 4135/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 NPC1 383/4885RAB9A 2005/4885ALDH1A1 4135/4885

“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.