SCHEMBL4487459

SCHEMBL4487459

CCc1cccc(OCCOC)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.68
ALDH1A1 P00352 5/20 0.68
GAA P10253 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MAPK1 P28482 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.49
SOD1 P00441 1/20 0.49
CYP2D6 P10635 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
GGPS1 O95749 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
SCHEMBL15295402 0.92 ALDH1A1 (0.65) KDM4EALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL10272584 0.91 KDM4E (0.70) KDM4EALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL10796146 0.87 MAPK1 (0.60) KDM4EALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL13883749 0.87 KDM4E (0.55) KDM4EALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL8057463 0.87 ALDH1A1 (0.59) KDM4EALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL3966708 0.86 KDM4E (0.52) KDM4EALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL10799020 0.85 KDM4E (0.58) KDM4EALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL59488 0.85 KDM4E (0.61) KDM4EALDH1A1GAASMN1; SMN2MAPK1
SCHEMBL15723552 0.84 MAPK1 (0.58) KDM4EALDH1A1SMN1; SMN2MAPK1TSHR
SCHEMBL2062788 0.84 KDM4E (0.50) KDM4EALDH1A1GAASMN1; SMN2MAPK1

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 US disclosed
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2021-11-30 US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 US disclosed
US-20210186935-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2021-06-24 US disclosed
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-06-11 US disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 US disclosed
US-10308975-B2 Substituted imidazo[1,2-a]pyrazines as luciferase substrates PROMEGA CORPORATION (US) 2019-06-04 US disclosed
US-20180223330-A1 COELENTERAZINE ANALOGUES JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2018-08-09 US disclosed
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed
US-9808447-B2 Inhibitors of Rho associated protein kinases (ROCK) and methods of use H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-11-07 US disclosed
US-20110294788-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS SANOFI (FR) 2011-12-01 US disclosed
WO-2011130740-A2 PYRIDYLTHIAZOLE-BASED UREAS AS INHIBITORS OF RHO ASSOCIATED PROTEIN KINASE (ROCK) AND METHODS OF USE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2011-10-20 WO disclosed
WO-2011059021-A1 8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE 大日本住友製薬株式会社 (JP) 2011-05-19 WO disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 US disclosed
US-7674828-B2 Urea antagonists of P2Y1receptor useful in the treatment of thrombotic conditions BRISTOL-MYERS SQUIBB COMPANY (US) 2010-03-09 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS BRISTOL MYERS SQUIBB COMPANY (US) 2008-11-13 US disclosed
US-7388021-B2 Urea antagonists of P2Y1 receptor useful in the treatment of thrombotic conditions BRISTOL MYERS SQUIBB COMPANY (US) 2008-06-17 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 (14 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT KDM4E 2733/4885ALDH1A1 947/4885GAA 96/4885
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 KDM4E 3792/4885ALDH1A1 684/4885GAA 172/4885
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL KDM4E 3249/4885ALDH1A1 1981/4885GAA 2930/4885
US-20080280905-A1 UREA ANTAGONISTS OF P2Y1 RECEPTOR USEFUL IN THE TREATMENT OF THROMBOTIC CONDITIONS P2RY1, P2RY11, P2RY2 KDM4E 3641/4885ALDH1A1 1978/4885GAA 2095/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KDM4E 3792/4885ALDH1A1 684/4885GAA 172/4885
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE KDM4E 1290/4885ALDH1A1 412/4885GAA 867/4885
US-20210186935-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR KDM4E 1565/4885ALDH1A1 4627/4885GAA 695/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL KDM4E 3249/4885ALDH1A1 1981/4885GAA 2930/4885
US-20180223330-A1 COELENTERAZINE ANALOGUES GLB1, SI, TCF7L2 KDM4E 3302/4885ALDH1A1 3541/4885GAA 188/4885
US-11186592-B2 Thiazolopyridine derivatives as adenosine receptor antagonists ADORA1, ADORA2A, AMPD2 KDM4E 4568/4885ALDH1A1 585/4885GAA 1264/4885
US-10308975-B2 Substituted imidazo[1,2-a]pyrazines as luciferase substrates AADAC, PGLS, GLB1 KDM4E 4263/4885ALDH1A1 1104/4885GAA 1044/4885
US-20110294788-A1 DERIVATIVES OF 2-PYRIDIN-2-YL-PYRAZOL-3(2H)-ONE, PREPARATION AND THERAPEUTIC USE THEREOF AS HIF ACTIVATORS HIF1AN, HIF1A, EGLN2 KDM4E 1006/4885ALDH1A1 1475/4885GAA 2546/4885
US-20200181171-A1 THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, AMPD2 KDM4E 4568/4885ALDH1A1 585/4885GAA 1264/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 KDM4E 3124/4885ALDH1A1 2168/4885GAA 3470/4885

“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.