SCHEMBL14710258

SCHEMBL14710258

O=C(O)Cc1ccc2c(c1)CCc1ccccc1-2

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 6/20 0.61
SRD5A1 P18405 1/20 0.58
SRD5A2 P31213 1/20 0.58
RAB9A P51151 2/20 0.50
MITF O75030 1/20 0.50
HSP90AA1 P07900 1/20 0.50
NPC1 O15118 1/20 0.49
LMNA P02545 2/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 2/20 0.46
ABCC4 O15439 1/20 0.46
PTGS1 P23219 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 1/20 0.44
RGS12 O14924 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
APEX1 P27695 1/20 0.44

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
SCHEMBL15897523 0.94 AKR1B1 (0.55) AKR1B1SRD5A1SRD5A2RAB9AMITF
SCHEMBL11088738 0.92 AKR1B1 (0.74) AKR1B1SRD5A1SRD5A2TDP1MAPK14
SCHEMBL9227114 0.87 SRD5A2 (0.58) AKR1B1SRD5A2RAB9ANPC1LMNA
Methane SCHEMBL3680766 0.85 SRD5A2 (0.57) AKR1B1SRD5A2RAB9ANPC1LMNA
SCHEMBL14711685 0.85 SRD5A1 (0.53) AKR1B1SRD5A1SRD5A2RAB9AMITF
SCHEMBL7057600 0.83 AKR1B1 (0.68) AKR1B1TDP1MAPK14
SCHEMBL503763 0.81 CYP1A2 (0.55) AKR1B1SRD5A1SRD5A2RAB9AMITF
SCHEMBL4808780 0.81 AKR1B1 (0.68) AKR1B1LMNAGAATSHRKDM4E
SCHEMBL6905807 0.80 AKR1B1 (0.50) AKR1B1LMNAGAATSHRABCC4
SCHEMBL3452644 0.80 SRD5A2 (0.54) AKR1B1SRD5A2LMNAGAATSHR

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 AKR1B1 1788/4885SRD5A1 2482/4885SRD5A2 2554/4885

“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.