SCHEMBL8283102

SCHEMBL8283102

COc1ccc(C[C@H](C)CO)cc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.60
LDHA P00338 1/20 0.56
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
IDO1 P14902 1/20 0.47
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
ACACB O00763 1/20 0.45
POLB P06746 1/20 0.45
CALM1 P0DP23 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL7976221 1.00 SLC6A4 (0.60) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL28296170 0.87 SLC6A4 (0.69) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL21323940 0.82 SLC6A4 (0.62) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL6017470 0.82 SLC6A4 (0.62) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL13623704 0.82 SLC6A4 (0.62) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL24733166 0.81 SLC6A4 (0.56) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL334385 0.80 SLC6A4 (0.66) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL8983553 0.80 SLC6A4 (0.60) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL28351383 0.80 SLC6A4 (0.60) SLC6A4LDHACYP1A2CYP2D6CYP2C19
SCHEMBL334384 0.80 SLC6A4 (0.66) SLC6A4LDHACYP1A2CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3494104-A1 WARMING SENSATION COMPOUNDS Takasago International Corporation (JP) 2019-06-12 EP disclosed
WO-2018027202-A1 WARMING SENSATION COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (USA) (US) 2018-02-08 WO disclosed
US-8980833-B2 Tubulysine derivatives R&D-BIOPHARMACEUTICALS GMBH (DE) 2015-03-17 US disclosed
US-20120129779-A1 TUBULYSINE DERIVATIVES R&D-BIOPHARMACEUTICALS GMBH (DE) 2012-05-24 US disclosed
US-7619116-B2 Intermediates for the synthesis of (R)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation Products Chimiques Auxiliaires Et de Synthese (FR) 2009-11-17 US disclosed
US-20070106079-A1 Novel intermediates for the synthesis of (r)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation PRODUITS CHIMIQUES AUXILIAIRES ET DE SYNTHESE (FR) 2007-05-10 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-20120129779-A1 TUBULYSINE DERIVATIVES GLS, TPX2, HKDC1 SLC6A4 1280/4885LDHA 1893/4885CYP1A2 4769/4885
US-20070106079-A1 Novel intermediates for the synthesis of (r)-tamsulosin and of its pharmaceutically acceptable salts and process for their preparation ADRB1, AVPR2, ADRA1A SLC6A4 421/4885LDHA 3340/4885CYP1A2 392/4885

“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.