SCHEMBL6804542

SCHEMBL6804542

COc1ccc(CCl)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
GFER P55789 1/20 0.49
DYRK1A Q13627 1/20 0.46
APLNR P35414 1/20 0.44
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
IDO1 P14902 2/20 0.39
ADRA1A P35348 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL6401311 0.86 ALDH1A1 (0.47) ALDH1A1GFERDYRK1AHTR2AHTR2C
SCHEMBL9676713 0.83 ALDH1A1 (0.51) ALDH1A1GFERDYRK1AAPLNRHTR2A
SCHEMBL30486651 0.81 APLNR (0.46) APLNRHTR2AHTR2CCA12CA1
SCHEMBL3484107 0.81 APLNR (0.46) APLNRHTR2AHTR2CCA12CA1
SCHEMBL3527192 0.81 APLNR (0.46) APLNRHTR2AHTR2CCA12CA1
SCHEMBL4510419 0.79 ALDH1A1 (0.53) ALDH1A1GFERDYRK1AAPLNRHTR2A
SCHEMBL6603605 0.79 APLNR (0.44) APLNRHTR2AHTR2CCA12CA1
SCHEMBL8640683 0.79 IDO1 (0.48) APLNRHTR2AHTR2CCA12CA1
SCHEMBL590943 0.79 APLNR (0.63) ALDH1A1GFERDYRK1AAPLNRHTR2A
SCHEMBL20446477 0.79 HTR2B (0.50) APLNRHTR2AHTR2CIDO1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10730892-B2 Homoallylamines as formaldehyde-responsive triggers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-04 US disclosed
US-10730892-B2 Homoallylamines as formaldehyde-responsive triggers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-08-04 US disclosed
US-20180215773-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-02 US disclosed
US-20180215773-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-02 US disclosed
WO-2017034927-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-03-02 WO disclosed
EP-2831054-B1 IMPROVED PROCESS FOR PRODUCING (S)-EQUOL REDDYS LAB LTD DR (IN) 2016-11-30 EP disclosed
US-9051291-B2 Process for producing (S)-equol DR. REDDY'S LABORATORIES LIMITED (IN) 2015-06-09 US disclosed
US-20150057456-A1 PROCESS FOR PRODUCING (S)-EQUOL DR. REDDY'S LABORATORIES LIMITED (IN) 2015-02-26 US disclosed
EP-2831054-A1 IMPROVED PROCESS FOR PRODUCING (S)-EQUOL Dr. Reddy's Laboratories Ltd. (IN) 2015-02-04 EP disclosed
WO-2013144857-A1 IMPROVED PROCESS FOR PRODUCING (S)-EQUOL DR. REDDY'S LABORATORIES LIMITED (IN) 2013-10-03 WO disclosed
US-20040043994-A1 Gem-substituted alpha v beta 3 antagonists PHARMACIA CORPORATION 2004-03-04 US disclosed
EP-1313705-A1 GEM-SUBSTITUTED ALPHA V BETA 3 INTEGRIN ANTAGONISTS Pharmacia Corporation (US) 2003-05-28 EP disclosed
US-6531494-B1 Gem-substituted αvβ3 antagonists PHARMACIA CORPORATION 2003-03-11 US disclosed
WO-2002018340-A1 GEM-SUBSTITUTED α v β 3 INTEGRIN ANTAGONISTS PHARMACIA CORPORATION (US) 2002-03-07 WO 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-20180215773-A1 HOMOALLYLAMINES AS FORMALDEHYDE-RESPONSIVE TRIGGERS HCAR2, HCAR1, HTR2A ALDH1A1 1031/4885GFER 213/4885DYRK1A 792/4885
US-20150057456-A1 PROCESS FOR PRODUCING (S)-EQUOL UGT1A7, CYP8B1, CYP2A7 ALDH1A1 489/4885GFER 1462/4885DYRK1A 4541/4885
US-20040043994-A1 Gem-substituted alpha v beta 3 antagonists CACNG5, ITGAV, ITGA5 ALDH1A1 2319/4885GFER 3956/4885DYRK1A 4623/4885
US-10730892-B2 Homoallylamines as formaldehyde-responsive triggers HCAR2, MTHFD2, AHCY ALDH1A1 675/4885GFER 319/4885DYRK1A 1313/4885

“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.