SCHEMBL12401916

SCHEMBL12401916

CC1CCCc2cc(O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.55
ESR2 Q92731 10/20 0.55
HSD17B1 P14061 2/20 0.45
SHBG P04278 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP19A1 P11511 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PRKCI P41743 1/20 0.41
HSD17B10 Q99714 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
STS P08842 2/20 0.40
HIF1A Q16665 2/20 0.40
AKR1B10 O60218 1/20 0.40
PGR P06401 1/20 0.40
SERPINA6 P08185 1/20 0.40
CYP3A4 P08684 1/20 0.40
AR P10275 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL30835166 1.00 ESR1 (0.55) ESR1ESR2HSD17B1SHBGSIGMAR1
SCHEMBL16527048 0.95 ESR1 (0.58) ESR1ESR2HSD17B1SHBGSIGMAR1
SCHEMBL13049833 0.89 ESR1 (0.53) ESR1ESR2HSD17B1SHBGCYP19A1
SCHEMBL8034552 0.89 ESR1 (0.53) ESR1ESR2HSD17B1SHBGCYP19A1
SCHEMBL4981817 0.85 ESR1 (0.46) ESR1ESR2CYP19A1MAOAMAOB
SCHEMBL15577013 0.81 HTR2C (0.58) ESR1ESR2SLC6A4HTR2BTSHR
SCHEMBL19302170 0.81 HTR2C (0.58) ESR1ESR2SLC6A4HTR2BTSHR
SCHEMBL18468830 0.81 HTR2C (0.58) ESR1ESR2SLC6A4HTR2BTSHR
SCHEMBL7913405 0.79 ESR2 (0.57) ESR1ESR2HSD17B1SHBGSIGMAR1
SCHEMBL6902991 0.79 SRD5A1 (0.42) ESR1ESR2LMNASLC6A4HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4695262-A1 PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS Pfizer Inc. (US) 2026-02-18 EP disclosed
US-12466803-B2 BCKDK inhibitors and/or degraders PFIZER INC. (US) 2025-11-11 US disclosed
WO-2024213979-A1 PYRIDO[4,3-D]PYRIMIDINE COMPOUNDS PFIZER INC. (US) 2024-10-17 WO disclosed
WO-2024125600-A1 HETEROCYCLIC COMPOUNDS ACTING AS KRAS INHIBITORS, PREPARATION THEREFOR AND THERAPEUTIC USE THEREOF 上海科州药物研发有限公司 2024-06-20 WO disclosed
WO-2023100061-A1 3-PHENYL-1-BENZOTHIOPHENE-2-CARBOXYLIC ACID DERIVATIVES AS BRANCHED-CHAIN ALPHA KETO ACID DEHYDROGENASE KINASE INHIBITORS FOR THE TREATMENT OF DIABETES, KIDNEY DISEASES, NASH AND HEART FAILURE PFIZER INC. (US) 2023-06-08 WO disclosed
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS PFIZER INC. (US) 2023-06-01 US disclosed
WO-2022247760-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITOR, AND PREPARATION THEREFOR AND USE THEREOF IN TREATMENT 上海科州药物研发有限公司 2022-12-01 WO disclosed
WO-2015025962-A1 AMIDINE COMPOUND OR SALT THEREOF 富山化学工業株式会社 (JP) 2015-02-26 WO disclosed
US-7985519-B2 Aromatic polycarbonate, electrophotographic photoreceptor, and image forming apparatus SHARP KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
US-7985519-B2 Aromatic polycarbonate, electrophotographic photoreceptor, and image forming apparatus SHARP KABUSHIKI KAISHA (JP) 2011-07-26 US disclosed
US-20080199215-A1 AROMATIC POLYCARBONATE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, AND IMAGE FORMING APPARATUS SHARP KABUSHIKI KAISHA (JP) 2008-08-21 US disclosed
US-20080199215-A1 AROMATIC POLYCARBONATE, ELECTROPHOTOGRAPHIC PHOTORECEPTOR, AND IMAGE FORMING APPARATUS SHARP KABUSHIKI KAISHA (JP) 2008-08-21 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 (2 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-12466803-B2 BCKDK inhibitors and/or degraders BCKDK, KHK, PDK4 ESR1 2725/4885ESR2 2617/4885HSD17B1 75/4885
US-20230167080-A1 BCKDK INHIBITORS AND/OR DEGRADERS BCKDK, KHK, PDK4 ESR1 2725/4885ESR2 2617/4885HSD17B1 75/4885

“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.