SCHEMBL3849541

SCHEMBL3849541

CC1(C)C=Nc2cc(Br)ccc21

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.31
PDE4B Q07343 1/20 0.30

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
SCHEMBL28017054 0.84 TRPA1 (0.31) TRPA1
SCHEMBL28134334 0.76 BACE1 (0.33)
SCHEMBL14428150 0.72 HSD17B10 (0.33)
SCHEMBL11314135 0.72 TRPA1 (0.36) TRPA1
SCHEMBL926937 0.70 HTR5A (0.35)
SCHEMBL29639106 0.70 HTR5A (0.35)
Hydrochloric Acid SCHEMBL30881482 0.68 HTR5A (0.34)
Iodide SCHEMBL29258426 0.68 HTR5A (0.37)
SCHEMBL30984323 0.68 AHR (0.36)
SCHEMBL15235375 0.68 CYP3A4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106232600-A Dihydroindole 2 ketone and 1,3 pyrrolin also [3,2 c] pyridine 2 ketone derivatives 豪夫迈·罗氏有限公司 2016-12-14 CN disclosed
US-8287775-B2 Photochromic material KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2012-10-16 US disclosed
US-8287775-B2 Photochromic material KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2012-10-16 US disclosed
US-20110198546-A1 PHOTOCHROMIC MATERIAL KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2011-08-18 US disclosed
US-20110198546-A1 PHOTOCHROMIC MATERIAL KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2011-08-18 US disclosed
EP-1308480-B1 CYANINE DYES FUJIFILM CORP (JP) 2009-11-11 EP disclosed
US-6939975-B2 Cyanine dyes FUJI PHOTO FILM CO., LTD. (JP) 2005-09-06 US disclosed
US-20040054192-A1 Cyanine dyes FUJIFILM CORPORATION (JP) 2004-03-18 US disclosed
EP-1308480-A1 CYANINE DYES FUJI PHOTO FILM CO., LTD. (JP) 2003-05-07 EP 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-20040054192-A1 Cyanine dyes IK, PYM1, CLIC1 TRPA1 3206/4885PDE4B 4876/4885
US-20110198546-A1 PHOTOCHROMIC MATERIAL PPOX, RAD51, DCLRE1A TRPA1 588/4885PDE4B 4107/4885

“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.