SCHEMBL2627140

SCHEMBL2627140

COc1ccc2cc(C(C)(C)C)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 1/20 0.56
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GSTP1 P09211 1/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP17A1 P05093 1/20 0.44
NCF1 P14598 1/20 0.44
CCR9 P51686 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 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
SCHEMBL12251344 0.96 CYP1A2 (0.57) CYP2A6CYP1A2HSD17B1HSD17B2MAPT
SCHEMBL24243100 0.83 PTGS1 (0.45) CYP2A6CYP1A2MAPTKDM4ELMNA
SCHEMBL1782247 0.83 CYP2A6 (0.52) CYP2A6CYP1A2HSD17B1HSD17B2KDM4E
SCHEMBL9420901 0.83 CYP1A2 (0.52) CYP2A6CYP1A2HSD17B1HSD17B2KDM4E
SCHEMBL30010382 0.83 ALDH1A1 (0.52) CYP1A2MAPTALDH1A1LMNAALOX15
SCHEMBL348347 0.83 ALDH1A1 (0.52) CYP1A2MAPTALDH1A1LMNAALOX15
SCHEMBL28105147 0.81 ALDH1A1 (0.50) CYP1A2MAPTALDH1A1LMNAALOX15
SCHEMBL15413859 0.81 CYP1A2 (0.54) CYP2A6CYP1A2HSD17B1HSD17B2MAPT
SCHEMBL18287957 0.81 CYP2A6 (0.54) CYP2A6CYP1A2HSD17B1HSD17B2KDM4E
SCHEMBL13335867 0.81 CYP3A4 (0.50) ALDH1A1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS BEONE MEDICINES I GMBH (CH) 2023-10-12 US disclosed
US-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same GEORGIA TECH RESEARCH CORPORATION 2023-08-17 US disclosed
US-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same GEORGIA TECH RESEARCH CORPORATION 2023-08-17 US disclosed
US-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 US disclosed
US-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-06-08 US disclosed
US-20230165811-A1 METHOD FOR TREATING SYMPTOMS OF VIRAL INFECTIONS WAINER IRVING W (US) 2023-06-01 US disclosed
US-20230165811-A1 METHOD FOR TREATING SYMPTOMS OF VIRAL INFECTIONS WAINER IRVING W (US) 2023-06-01 US disclosed
US-11654137-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same GEORGIA TECH RESEARCH CORPORATION (US) 2023-05-23 US disclosed
US-11654137-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same GEORGIA TECH RESEARCH CORPORATION (US) 2023-05-23 US disclosed
US-5670512-A SKIN DISORDERS; REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1997-09-23 US disclosed
US-5541190-A TREATING BENIGN PROSTATIC HYPERPLASIA, MALE PATTERN BALDNESS, PROSTATIC CANCER, ANDROGENIC ALOPECIA ELI LILLY AND COMPANY (US) 1996-07-30 US disclosed
US-5495021-A STEROID 5 ALPHA-REDUCTASE INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-27 US disclosed
US-5334767-A Steroid 5a-reductase inhibitor ELI LILLY AND COMPANY (US) 1994-08-02 US disclosed
EP-0591583-A1 Benzo (f) quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1994-04-13 EP disclosed
EP-0591582-A1 Hexahydrobenzo (f) quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1994-04-13 EP disclosed
US-5250539-A 5-alpha reductase inhibitors; administer as therapy for benign prostatic hyperplasia, hirsutism and acne ELI LILLY AND COMPANY (US) 1993-10-05 US disclosed
US-5239075-A PROCESS FOR THE PREPARATION OF BENZO (F) QUINOLINONES ELI LILLY AND COMPANY (US) 1993-08-24 US disclosed
EP-0532190-A2 Benzo f quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1993-03-17 EP disclosed
EP-0531026-A1 Hexahydrobenzo[f]quinolinones as 5-alpha-reductase inhibitors ELI LILLY AND COMPANY (US) 1993-03-10 EP 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 (5 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-11654137-B2 3-(hydroxy)-pyridin-4(1H)-one compounds and methods of making and using the same KDM1B, KDM3A, KDM1A CYP2A6 2718/4885CYP1A2 2929/4885HSD17B1 2324/4885
US-20230255950-A1 3-(Hydroxy)-Pyridin-4(1H)-One Compounds and Methods of Making and Using the Same KDM1B, KDM3A, KDM1A CYP2A6 2718/4885CYP1A2 2929/4885HSD17B1 2324/4885
US-20230322788-A1 IMIDAZOTRIAZINE AND PYRROLOPYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS KRAS, NRAS, HRAS CYP2A6 4169/4885CYP1A2 3955/4885HSD17B1 4213/4885
US-20230172911-A1 METHOD OF MODULATING RIBONUCLEOTIDE REDUCTASE RRM2, RRM2B, RRM1 CYP2A6 3973/4885CYP1A2 2663/4885HSD17B1 421/4885
US-20230165811-A1 METHOD FOR TREATING SYMPTOMS OF VIRAL INFECTIONS ACE, CCL11, CRH CYP2A6 1077/4885CYP1A2 1058/4885HSD17B1 68/4885

“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.