SCHEMBL4236973

SCHEMBL4236973

CC1(C)CCc2ccc(O)cc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
CYP3A4 P08684 1/20 0.49
OPRM1 P35372 9/20 0.49
OPRK1 P41145 8/20 0.49
OPRD1 P41143 7/20 0.49
ESR1 P03372 2/20 0.47
ESR2 Q92731 2/20 0.47
POLA1 P09884 2/20 0.44
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41

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
SCHEMBL6711237 0.88 ALDH1A1 (0.46) ALDH1A1LMNACYP3A4OPRM1OPRK1
SCHEMBL1495880 0.86 ESR2 (0.58) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL29890280 0.86 ESR2 (0.58) ALDH1A1LMNACYP3A4ESR1ESR2
SCHEMBL30701838 0.78 RXRA (0.49) ALDH1A1LMNACYP3A4
SCHEMBL1360287 0.78 RXRA (0.49) ALDH1A1LMNACYP3A4
SCHEMBL29646235 0.78 ALDH1A1 (0.44) ALDH1A1LMNACYP3A4OPRM1OPRK1
SCHEMBL218608 0.78 ALDH1A1 (0.44) ALDH1A1LMNACYP3A4OPRM1OPRK1
SCHEMBL29646238 0.78 ALDH1A1 (0.44) ALDH1A1LMNACYP3A4OPRM1OPRK1
SCHEMBL12442825 0.77 OPRM1 (0.47) ALDH1A1LMNACYP3A4OPRM1OPRK1
SCHEMBL13899941 0.77 ESR1 (0.54) ALDH1A1LMNACYP3A4OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334376-A1 CAPPED BISPHENOL POLYETHER OLIGOMER AND COMPOSITION, METHOD OF MANUFACTURE, AND ARTICLES MADE THEREFROM SHPP Global Technologies B.V. (NL) 2024-03-13 EP disclosed
US-11912723-B2 KRAS modulators and uses thereof QUANTA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. 2023-11-23 US disclosed
US-9981977-B2 Asymmetric electrophilic fluorination using an anionic chiral phase-transfer catalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-29 US disclosed
US-9981977-B2 Asymmetric electrophilic fluorination using an anionic chiral phase-transfer catalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-29 US disclosed
US-9981977-B2 Asymmetric electrophilic fluorination using an anionic chiral phase-transfer catalyst THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-29 US disclosed
US-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-27 US disclosed
US-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-27 US disclosed
US-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-11-27 US disclosed
WO-2013096971-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-06-27 WO disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 WO disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 WO disclosed
US-4510337-A REACTION OF PHENOLS WITH ISOPRENE OR 2,3-DIMETHYL-1,3-BUTADIENE IN THE PRESENCE OF PHOSPHORIC ACID PHILLIPS PETROLEUM COMPANY (US) 1985-04-09 US disclosed
US-4510337-A REACTION OF PHENOLS WITH ISOPRENE OR 2,3-DIMETHYL-1,3-BUTADIENE IN THE PRESENCE OF PHOSPHORIC ACID PHILLIPS PETROLEUM COMPANY (US) 1985-04-09 US disclosed
US-4510337-A REACTION OF PHENOLS WITH ISOPRENE OR 2,3-DIMETHYL-1,3-BUTADIENE IN THE PRESENCE OF PHOSPHORIC ACID PHILLIPS PETROLEUM COMPANY (US) 1985-04-09 US disclosed
US-4107324-A ARTHROPODICIDES, FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1978-08-15 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 (4 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR ALDH1A1 4595/4885LMNA 2647/4885CYP3A4 3687/4885
US-20230374042-A1 KRAS MODULATORS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 3733/4885LMNA 4214/4885CYP3A4 3854/4885
US-20140350253-A1 ASYMMETRIC ELECTROPHILIC FLUORINATION USING AN ANIONIC CHIRAL PHASE-TRANSFER CATALYST GFPT1, NUDT1, INF2 ALDH1A1 1971/4885LMNA 4617/4885CYP3A4 242/4885
US-11912723-B2 KRAS modulators and uses thereof KRAS, NRAS, HRAS ALDH1A1 3733/4885LMNA 4214/4885CYP3A4 3854/4885

“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.