SCHEMBL77481

SCHEMBL77481

COc1ccc(C(C)(C)C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
NNMT P40261 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2A6 P11509 2/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39
TUBB2A Q13885 1/20 0.39
TUBB8 Q3ZCM7 1/20 0.39

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
SCHEMBL14848476 0.86 CYP11B1 (0.47) KDM4EPOLBRAB9ANNMTCYP2A6
SCHEMBL13165242 0.86 NNMT (0.49) KDM4EPOLBRAB9ANNMTTSHR
SCHEMBL1622275 0.84 MKNK1 (0.54) KDM4EPOLBRAB9ACYP2A6MKNK1
SCHEMBL17531157 0.83 TSHR (0.49) KDM4EPOLBRAB9ANNMTTSHR
SCHEMBL1515571 0.83 NNMT (0.46) KDM4EPOLBRAB9ANNMTTSHR
SCHEMBL22079377 0.83 NNMT (0.48) KDM4ERAB9ANNMTTSHRSMN1; SMN2
SCHEMBL13009068 0.81 RAB9A (0.64) KDM4EPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL23589790 0.81 RAB9A (0.50) KDM4EPOLBRAB9ATSHRSMN1; SMN2
SCHEMBL706407 0.81 TSHR (0.63) KDM4EPOLBNNMTTSHRSMN1; SMN2
SCHEMBL30980818 0.81 TSHR (0.63) KDM4EPOLBNNMTTSHRSMN1; 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 587 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-07-18 US disclosed
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS FULCRUM THERAPEUTICS INC (US) 2024-07-18 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
US-20230374008-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-23 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 EP disclosed
US-11786575-B2 Endoparasitic depsipeptides ZOETIS SERVICES LLC (US) 2023-10-17 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-7230008-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO, INC. (US) 2007-06-12 US disclosed
US-7214668-B2 Phosphonic acid based prodrugs of PMEA and its analogues METABASIS THERAPEUTICS, INC. (US) 2007-05-08 US disclosed
US-20070093414-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-20070093414-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-26 US disclosed
US-7202363-B2 Thienopyridine and furopyridine kinase inhibitors ABBOTT LABORATORIES (US) 2007-04-10 US disclosed
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof TEIJIN PHARMA LIMITED 2007-03-29 US disclosed
US-20070004701-A1 Topoisomerase inhibitors PROPHARMACON, INC. (US) 2007-01-04 US disclosed
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling METHYLGENE, INC. 2007-01-04 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 (12 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-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC KDM4E 1291/4885POLB 3444/4885RAB9A 1353/4885
US-20070072898-A1 Pyrazolo[1,5-a]pyridine derivatives or pharmaceutically acceptable salts thereof MAPKAPK2, MAP4K2, MAPKAPK5 KDM4E 1877/4885POLB 3893/4885RAB9A 1024/4885
US-11786575-B2 Endoparasitic depsipeptides VIP, PREP, NGLY1 KDM4E 3941/4885POLB 4271/4885RAB9A 549/4885
US-20070004675-A1 Inhibitors of VEGF receptor and HGF receptor signaling HGF, MET, FLT1 KDM4E 4094/4885POLB 1325/4885RAB9A 2065/4885
US-20240238296-A1 METHODS OF REGULATING BCL11A EXPRESSION AND TREATMENT OF BCL11A-MEDIATED DISORDERS BCLAF1, EED, BCL3 KDM4E 410/4885POLB 1741/4885RAB9A 2082/4885
US-20240239764-A1 SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS EGFR, ERBB2, ERBB3 KDM4E 2643/4885POLB 521/4885RAB9A 193/4885
US-20070004701-A1 Topoisomerase inhibitors TOP1, TOP2A, TOP2B KDM4E 987/4885POLB 15/4885RAB9A 3552/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 KDM4E 4157/4885POLB 3123/4885RAB9A 277/4885
US-20230374008-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 KDM4E 4157/4885POLB 3123/4885RAB9A 277/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE KDM4E 1022/4885POLB 3963/4885RAB9A 1814/4885
US-20070093414-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, PYGL KDM4E 3825/4885POLB 1458/4885RAB9A 1854/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP KDM4E 2437/4885POLB 2269/4885RAB9A 936/4885

“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.