SCHEMBL4629883

SCHEMBL4629883

CCCCOC(=O)c1[c]c2ccccc2cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.54
L3MBTL1 Q9Y468 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPK1 P28482 4/20 0.49
CYP3A4 P08684 3/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 7/20 0.48
HSD17B10 Q99714 2/20 0.48
LMNA P02545 5/20 0.48
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
ESR1 P03372 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CYP2D6 P10635 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
CYP2C9 P11712 1/20 0.43
PDE4D Q08499 1/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL22263931 0.96 TSHR (0.55) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL22263841 0.94 ALDH1A1 (0.56) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL8942783 0.94 ALDH1A1 (0.56) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL22263901 0.94 ALDH1A1 (0.56) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL4722815 0.91 ALDH1A1 (0.51) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL4723198 0.88 TSHR (0.50) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL2323796 0.85 TSHR (0.49) TSHRL3MBTL1MAPK1ALDH1A1HSD17B10
SCHEMBL7196364 0.82 ESR1 (0.51) TSHRL3MBTL1TDP1MAPK1CYP3A4
SCHEMBL6555872 0.80 PPARG (0.33) TSHRTDP1MAPK1SMN1; SMN2KDM4E
SCHEMBL6946454 0.80 TSHR (0.61) TSHRL3MBTL1TDP1MAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514402-B1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEM IND INC (JP) 2016-08-31 EP disclosed
US-9414998-B2 Preventing or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2016-08-16 US disclosed
US-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2014-10-30 US disclosed
EP-2514402-A1 PROPHYLACTIC OR AMELIORATING AGENT FO PIGMENTATION Pola Chemical Industries Inc. (JP) 2012-10-24 EP disclosed
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-10-11 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 WO disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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 (3 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 TSHR 499/4885L3MBTL1 3954/4885TDP1 1332/4885
US-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF TSHR 1691/4885L3MBTL1 1212/4885TDP1 4054/4885
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF TSHR 1691/4885L3MBTL1 1212/4885TDP1 4054/4885

“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.