SCHEMBL254878

SCHEMBL254878

CCOc1cccc(C(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.63
TSHR P16473 1/20 0.63
TP53 P04637 1/20 0.55
CYP3A4 P08684 1/20 0.55
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NQO1 P15559 1/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTGES O14684 1/20 0.44
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
LTA4H P09960 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 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
SCHEMBL25384205 0.86 TP53 (0.53) KDM4ETSHRTP53CYP3A4ALDH1A1
SCHEMBL10448057 0.86 KDM4E (0.60) KDM4ETSHRTP53CYP3A4ALDH1A1
SCHEMBL146850 0.85 TP53 (0.56) KDM4ETSHRTP53CYP3A4ALDH1A1
SCHEMBL4280414 0.85 TP53 (0.56) KDM4ETSHRTP53CYP3A4ALDH1A1
SCHEMBL5018851 0.85 KDM4E (0.69) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL8045881 0.85 TP53 (0.52) KDM4ETSHRTP53CYP3A4ALDH1A1
SCHEMBL6055352 0.85 TP53 (0.52) KDM4ETSHRTP53CYP3A4ALDH1A1
SCHEMBL16953912 0.85 TP53 (0.52) KDM4ETSHRTP53CYP3A4ALDH1A1
SCHEMBL7640732 0.85 TP53 (0.56) KDM4ETSHRTP53CYP3A4ALDH1A1
SCHEMBL14200522 0.84 KDM4E (0.63) KDM4ETSHRALDH1A1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors Merck Sharp & Dohme, LLC (US) 2024-05-07 US disclosed
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors Merck Sharp & Dohme, LLC (US) 2024-05-07 US disclosed
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PROMEGA CORPORATION 2024-02-29 US disclosed
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PROMEGA CORPORATION 2024-02-29 US disclosed
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 US disclosed
US-11781168-B2 Process for preparing substituted imidazo[1,2-α]pyrazines PROMEGA CORPORATION (US) 2023-10-10 US disclosed
US-11781168-B2 Process for preparing substituted imidazo[1,2-α]pyrazines PROMEGA CORPORATION (US) 2023-10-10 US disclosed
US-20230234950-A1 CRBN LIGANDS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-07-27 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 US disclosed
US-7179815-B2 Gonadotropin-releasing hormone receptor antagonists and methods relating thereto NEUROCRINE BIOSCIENCES, INC. (US) 2007-02-20 US disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 US disclosed
EP-0857067-A4 RADIOPROTECTORS PETER MACCALLUM CANCER INST (AU) 2005-01-19 EP disclosed
US-6548505-B1 Protecting biological materials from damage caused by radiation; side effect reduction during radiotherapy or chemotherapy; indole, benzimidazole, benzoxazole or benzothiazole compounds substituted with 4-alkylpiperazino PETER MACCALLUM CANCER INSTITUTE (AU) 2003-04-15 US disclosed
US-6194414-B1 CANCER THERAPY; PREVENT RADIATION DAMAGE THE INNER AND EASTERN HEALTH CARE NETWORK (AU) 2001-02-27 US disclosed
EP-0857067-A1 RADIOPROTECTORS The Inner and Eastern Health Care Network (AU) 1998-08-12 EP disclosed
WO-1997004776-A1 RADIOPROTECTORS THE INNER AND EASTERN HEALTH CARE NETWORK (AU) 1997-02-13 WO disclosed
US-4257926-A SIMULTANEOUSLY WITH VULCANIZATION USING A COPOLYCONDENSATE OF A PHENOL, FORMALDEHYDE AND RESORCINOL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-03-24 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 (8 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-20230234950-A1 CRBN LIGANDS AND USES THEREOF CRBN, CRKL, ERBB3 KDM4E 2459/4885TSHR 2599/4885TP53 167/4885
US-11781168-B2 Process for preparing substituted imidazo[1,2-α]pyrazines CYP4Z1, CYP2E1, CYP2F1 KDM4E 2418/4885TSHR 2957/4885TP53 2233/4885
US-20070135631-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 KDM4E 1618/4885TSHR 2250/4885TP53 1637/4885
US-20230233560-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 KDM4E 2973/4885TSHR 1187/4885TP53 4503/4885
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 KDM4E 2205/4885TSHR 4648/4885TP53 2759/4885
US-20240068009-A1 SUBSTITUTED IMIDAZO[1,2-a]PYRAZINES AS LUCIFERASE SUBSTRATES PGLS, AADAC, GLB1 KDM4E 4319/4885TSHR 3586/4885TP53 2544/4885
US-11976061-B2 Preparation of benzimidazolone derivatives as novel diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 KDM4E 1773/4885TSHR 4673/4885TP53 3181/4885
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA KDM4E 2164/4885TSHR 780/4885TP53 4801/4885

“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.