SCHEMBL2747445

SCHEMBL2747445

COC(=O)CC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
NPSR1 Q6W5P4 1/20 0.47
EPHX2 P34913 1/20 0.47
HSD17B10 Q99714 1/20 0.47
BPTF Q12830 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL29527394 0.91 ALDH1A1 (0.48) ALDH1A1LMNASMN1; SMN2NPSR1EPHX2
SCHEMBL21945473 0.84 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2NPSR1EPHX2
SCHEMBL14072550 0.83 ALDH1A1 (0.45) ALDH1A1LMNASMN1; SMN2TSHR
SCHEMBL19895701 0.83 ALDH1A1 (0.53) ALDH1A1LMNASMN1; SMN2BPTFTSHR
SCHEMBL19766894 0.82 ALDH1A1 (0.52) ALDH1A1LMNATSHR
SCHEMBL1566124 0.82 POLB (0.58) ALDH1A1LMNATSHR
SCHEMBL14644921 0.81 LMNA (0.60) ALDH1A1LMNABPTFTSHRMAPT
SCHEMBL8073717 0.81 KMT2A (0.56) ALDH1A1
SCHEMBL12834145 0.81 ALDH1A1 (0.48) ALDH1A1LMNATSHR
SCHEMBL1072911 0.80 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPSR1EPHX2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250388565-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2025-12-25 US disclosed
WO-2024006776-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND MEDICAL USE THEREOF RELAY THERAPEUTICS, INC. (US) 2024-01-04 WO disclosed
US-20190255041-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI 2019-08-22 US disclosed
US-10155770-B2 Substituted pyrazolopyrimidines and method of use ABBVIE INC. (US) 2018-12-18 US disclosed
US-20180105530-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2018-04-19 US disclosed
EP-3286192-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE AbbVie Deutschland GmbH & Co KG (DE) 2018-02-28 EP disclosed
US-9828381-B2 Substituted pyrazolopyrimidines and method of use AbbVie Deutschland GmbH & Co. KG (DE) 2017-11-28 US disclosed
WO-2016169995-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-27 WO disclosed
US-20160304527-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-20 US disclosed
US-8178679-B2 Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the β2 adrenergic receptors ALMIRALL, S.A. (ES) 2012-05-15 US disclosed
US-20110008728-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2011-01-13 US disclosed
US-20110008728-A1 RESIST COMPOSITION AND METHOD OF FORMING RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2011-01-13 US disclosed
US-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ALMIRALL, S.A. (ES) 2010-12-23 US disclosed
EP-2212276-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR Almirall, S.A. (ES) 2010-08-04 EP disclosed
WO-2009068177-A1 DERIVATIVES OF 4-(2-AMINO-1 -HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR ALMIRALL, S.A. (ES) 2009-06-04 WO disclosed
EP-0661271-B1 AZEPINE DERIVATIVES, PRODUCTION THEREOF, AND USE THEREOF AS SIGMA-RECEPTOR LIGANDS ASAHI CHEMICAL IND (JP) 2000-04-26 EP disclosed
US-5658923-A USED IN TREATING DISEASES RELATED TO SIGMA-RECEPTOR, SUCH AS SCHIZOPHRENIA ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-08-19 US disclosed
US-5650406-A ANTISCHIZOPHRENIC AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-07-22 US disclosed
EP-0757040-A1 ADAMANTANE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1997-02-05 EP disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 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 (6 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-20160304527-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE GABBR1, GABBR2, GABRB1 ALDH1A1 258/4885LMNA 3878/4885SMN1; SMN2 772/4885
US-10155770-B2 Substituted pyrazolopyrimidines and method of use GABBR1, GABBR2, GABRB1 ALDH1A1 258/4885LMNA 3878/4885SMN1; SMN2 772/4885
US-20250388565-A1 ESTROGEN RECEPTOR ALPHA DEGRADERS AND METHODS OF USE THEREOF ESRRA, ESRRB, ESR2 ALDH1A1 1679/4885LMNA 2092/4885SMN1; SMN2 2314/4885
US-20100324000-A1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTORS ADRB2, ADRB1, ADRA2C ALDH1A1 497/4885LMNA 2577/4885SMN1; SMN2 3757/4885
US-20190255041-A1 COMPOSITIONS AND METHODS FOR TREATING EZH2-MEDIATED CANCER EZH2, EZH1, EED ALDH1A1 2910/4885LMNA 1945/4885SMN1; SMN2 3483/4885
US-20180105530-A1 SUBSTITUTED PYRAZOLOPYRIMIDINES AND METHOD OF USE GABBR1, GABBR2, GABRB1 ALDH1A1 258/4885LMNA 3878/4885SMN1; SMN2 772/4885

“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.