SCHEMBL14711010

SCHEMBL14711010

CCOC(=O)c1c(C)noc1-c1ccc2c(c1)CCc1cc(C3(C(=O)OC)CC3)ccc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
PKM P14618 2/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
HTT P42858 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
CASP3 P42574 1/20 0.35
ATM Q13315 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
OPRM1 P35372 2/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL14711003 0.89 ABCC3 (0.37) ALDH1A1KDM4EMAPTTSHRHTT
SCHEMBL14794694 0.86 ALDH1A1 (0.49) ALDH1A1PKMKDM4EPOLBMAPT
SCHEMBL14711012 0.79 AKR1C3 (0.42) ALDH1A1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL14710204 0.78 ALDH1A1 (0.45) ALDH1A1PKMKDM4EPOLBMAPT
SCHEMBL14711158 0.75 ABCC3 (0.39) ALDH1A1POLBMAPTTSHRHTT
SCHEMBL14794886 0.74 LPAR1 (0.67) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL14794646 0.74 LPAR1 (0.47) ALDH1A1POLBMAPTHTTNPC1
SCHEMBL22256919 0.74 CYP2C9 (0.39) ALDH1A1PKMKDM4EPOLBMAPT
SCHEMBL14790743 0.74 S1PR1 (0.33) ALDH1A1POLBMAPTTSHRNPC1
SCHEMBL14794888 0.72 LPAR1 (0.56) ABCC3ABCC4ABCB11CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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 (1 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 ALDH1A1 4135/4885PKM 2118/4885KDM4E 4418/4885

“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.