SCHEMBL4547157

SCHEMBL4547157

CCc1ccc(C)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL10817318 0.83 AMY1A (0.42) MAPTHPGDALDH1A1L3MBTL1TDP1
SCHEMBL16958419 0.82 L3MBTL1 (0.38) MAPTHPGDALDH1A1L3MBTL1TDP1
SCHEMBL30558293 0.81 HTR2A (0.41) MAPTHPGDALDH1A1L3MBTL1TDP1
SCHEMBL3772270 0.81 HTR2A (0.41) MAPTHPGDALDH1A1L3MBTL1TDP1
SCHEMBL4882598 0.81 GABRA1 (0.41) MAPTHPGDALDH1A1GABRA1GABRB2
SCHEMBL29280309 0.80 TAAR1 (0.35) MAPTHPGDALDH1A1L3MBTL1TDP1
SCHEMBL598593 0.79 TAAR1 (0.44) MAPTL3MBTL1TDP1SMN1; SMN2KDM4E
SCHEMBL4930876 0.79 HTR2A (0.43) MAPTHPGDALDH1A1L3MBTL1TDP1
SCHEMBL21032335 0.79 CYP1A2 (0.41) MAPTHPGDALDH1A1L3MBTL1TDP1
SCHEMBL29386482 0.79 NPC1 (0.38) MAPTHPGDALDH1A1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS UNIVERSITY OF KWAZULU-NATAL (ZA) 2023-09-21 US disclosed
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMACEUTICALS, INC. 2017-07-27 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20130026428-A1 PREPARATION OF A PHOTOCHROMIC INK BASF SE (DE) 2013-01-31 US disclosed
US-8287776-B2 Preparation of a photochromic ink BASF SE (DE) 2012-10-16 US disclosed
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-03 US disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
US-20110297898-A1 PREPARATION OF A PHOTOCHROMIC INK BASF SE (DE) 2011-12-08 US disclosed
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2011-09-22 US disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
EP-1740653-B1 METHOD OF NUCLEATING A POLYOLEFIN COMPOSITION WITH ACETAL-BASED COMPOUNDS MILLIKEN & CO (US) 2010-08-18 EP disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
US-7157510-B2 Method of nucleating a polyolefin composition with acetal-based compounds MILLIKEN & COMPANY (US) 2007-01-02 US disclosed
US-7157510-B2 Method of nucleating a polyolefin composition with acetal-based compounds MILLIKEN & COMPANY (US) 2007-01-02 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 (8 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-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 MAPT 4160/4885HPGD 1808/4885ALDH1A1 2674/4885
US-20170209591-A1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE HNMT, SLC10A1, SLC10A2 MAPT 3410/4885HPGD 82/4885ALDH1A1 331/4885
US-20110297898-A1 PREPARATION OF A PHOTOCHROMIC INK RB1, REN, MYH14 MAPT 1266/4885HPGD 1340/4885ALDH1A1 911/4885
US-20120108605-A1 O-GLCNAC TRANSFERASE INHIBITORS AND USES THEREOF OGA, OGT, UGGT1 MAPT 759/4885HPGD 1736/4885ALDH1A1 1153/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 MAPT 2927/4885HPGD 3931/4885ALDH1A1 1261/4885
US-20110230465-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E MAPT 3171/4885HPGD 1633/4885ALDH1A1 1625/4885
US-20230295139-A1 SYNTHESIS OF HETEROCYCLIC COMPOUNDS FROM CARBOXAMIDE AND CARBOXAMIDE DERIVATIVES WITH HALOALKANOLS NAAA, CNR2, AADAC MAPT 4373/4885HPGD 603/4885ALDH1A1 627/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 MAPT 2335/4885HPGD 3807/4885ALDH1A1 680/4885

“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.