SCHEMBL2549762

SCHEMBL2549762

CC12CCC(=O)C=C1CCC2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
CYP3A4 P08684 4/20 0.53
LMNA P02545 4/20 0.53
CYP19A1 P11511 9/20 0.47
SMN1; SMN2 Q16637 7/20 0.41
MAPK1 P28482 3/20 0.41
BLM P54132 3/20 0.41
PMP22 Q01453 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HSD17B10 Q99714 3/20 0.41
SHBG P04278 2/20 0.41
SERPINA6 P08185 2/20 0.41
HSD17B3 P37058 2/20 0.41
SNCA P37840 2/20 0.41
TSHR P16473 2/20 0.41
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
POLB P06746 1/20 0.37
NR1I2 O75469 2/20 0.36
NR3C1 P04150 2/20 0.36

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
SCHEMBL2618326 1.00 ALDH1A1 (0.53) ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2
SCHEMBL2549760 1.00 ALDH1A1 (0.53) ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2
SCHEMBL267262 0.88 ALDH1A1 (0.46) ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2
SCHEMBL260976 0.88 ALDH1A1 (0.46) ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2
SCHEMBL4232967 0.88 ALDH1A1 (0.46) ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2
SCHEMBL9123435 0.73 ALDH1A1 (0.67) ALDH1A1CYP3A4LMNACYP19A1TSHR
SCHEMBL7789528 0.73 ALDH1A1 (0.67) ALDH1A1CYP3A4LMNACYP19A1TSHR
SCHEMBL12911139 0.73 ALDH1A1 (0.44) ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2
SCHEMBL14592015 0.71 ALDH1A1 (0.42) ALDH1A1CYP3A4LMNACYP19A1SMN1; SMN2
SCHEMBL11444299 0.71 CYP19A1 (0.40) ALDH1A1CYP3A4LMNACYP19A1SMN1; 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 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240182516-A1 METHODS FOR CONVENIENT ASYMMETRIC SYNTHESIS OF C9-SUBSTITUTED STEROID-LIKE COMPOUNDS TRUSTEES OF DARTMOUTH COLLEGE 2024-06-06 US claimed
WO-2022198224-A1 METHODS FOR CONVENIENT ASYMMETRIC SYNTHESIS OF C9-SUBSTITUTED STEROID-LIKE COMPOUNDS TRUSTEES OF DARTMOUTH COLLEGE (US) 2022-09-22 WO claimed
US-20240182516-A1 METHODS FOR CONVENIENT ASYMMETRIC SYNTHESIS OF C9-SUBSTITUTED STEROID-LIKE COMPOUNDS TRUSTEES OF DARTMOUTH COLLEGE 2024-06-06 US disclosed
CN-118047805-A Method for synthesizing Danishefafsky-Diene by palladium catalysis 南京师范大学 2024-05-17 CN disclosed
CN-116640737-A BsER alkene reductase and construction and application of mutant thereof 沈阳药科大学 2023-08-25 CN disclosed
WO-2022198224-A1 METHODS FOR CONVENIENT ASYMMETRIC SYNTHESIS OF C9-SUBSTITUTED STEROID-LIKE COMPOUNDS TRUSTEES OF DARTMOUTH COLLEGE (US) 2022-09-22 WO disclosed
US-20200331828-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME UNIV ILLINOIS (US) 2020-10-22 US disclosed
US-10716795-B2 Steroid analogues for neuroprotection EMORY UNIVERSITY (US) 2020-07-21 US disclosed
US-10703698-B2 Compounds which activate estrogen receptors and compositions and methods of using the same THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2020-07-07 US disclosed
US-20190002380-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2019-01-03 US disclosed
EP-3400071-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME The Board of Trustees of the University of Illinois (US) 2018-11-14 EP disclosed
US-4108898-A Asymmetric synthesis of organic compounds HOFFMANN-LA ROCHE INC. (US) 1978-08-22 US disclosed
US-4105696-A Asymmetric synthesis of organic compounds HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed
US-4102929-A Asymmetric synthesis of organic compounds HOFFMANN-LA ROCHE INC. (US) 1978-07-25 US disclosed
US-4072716-A Bicycloalkane derivatives SCHERING AKTIENGESELLSCHAFT (DT) 1978-02-07 US disclosed
US-4051188-A NOVEL BICYCLOALKANE DERIVATIVES AND THE PRODUCTION THEREOF SCHERING AKTIENGESELLSCHAFT (DT) 1977-09-27 US disclosed
US-4024166-A Process for the preparation of 13β-alkyl-4-gonene-3,17-diones SCHERING AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-4008253-A Bicycloalkanes SCHERING AKTIENGESELLSCHAFT (DT) 1977-02-15 US disclosed
US-3975440-A Asymmetric synthesis of organic compounds HOFFMANN-LA ROCHE INC. (US) 1976-08-17 US disclosed
US-3975442-A STEROID INTERMEDIATES HOFFMANN-LA ROCHE INC. (US) 1976-08-17 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 (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-10703698-B2 Compounds which activate estrogen receptors and compositions and methods of using the same GPER1, ESRRG, ESR2 ALDH1A1 2046/4885CYP3A4 1153/4885LMNA 4049/4885
US-20190002380-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME GPER1, ESRRG, ESR2 ALDH1A1 2074/4885CYP3A4 1033/4885LMNA 4400/4885
US-20200331828-A1 NOVEL COMPOUNDS WHICH ACTIVATE ESTROGEN RECEPTORS AND COMPOSITIONS AND METHODS OF USING THE SAME GPER1, ESRRG, ESR2 ALDH1A1 2074/4885CYP3A4 1033/4885LMNA 4400/4885
US-20240182516-A1 METHODS FOR CONVENIENT ASYMMETRIC SYNTHESIS OF C9-SUBSTITUTED STEROID-LIKE COMPOUNDS C9, HSD17B7, CYP11A1 ALDH1A1 3578/4885CYP3A4 529/4885LMNA 1924/4885
US-10716795-B2 Steroid analogues for neuroprotection CYP11A1, NR3C2, HSD17B7 ALDH1A1 3178/4885CYP3A4 1956/4885LMNA 831/4885

“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.