SCHEMBL14716959

SCHEMBL14716959

CCCCC(CC)CN1C(=O)c2c(-c3ccc(Br)s3)sc(-c3ccc(Br)s3)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
TNFRSF1A P19438 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL12361099 0.88 ALDH1A1 (0.40) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL19821718 0.83 KDM4E (0.37) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL13832883 0.83 ALDH1A1 (0.39) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL793158 0.82 ALDH1A1 (0.40) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL14716574 0.81 ALDH1A1 (0.42) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL18066971 0.80 KMT2A (0.39) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL18985153 0.80 KMT2A (0.39) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL1498216 0.80 ALDH1A1 (0.39) ALDH1A1KDM4ETHRBHPGDKMT2A
SCHEMBL14716693 0.79 PTGS1 (0.41) ALDH1A1HPGDTNFRSF1A
SCHEMBL14716528 0.79 PTGS1 (0.41) ALDH1A1HPGDTNFRSF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105992787-B Organic semiconductor material 东洋纺株式会社 2020-03-03 CN disclosed
US-20170069845-A1 ORGANIC SEMICONDUCTOR MATERIAL TOYOBO CO., LTD. (JP) 2017-03-09 US disclosed
US-20170069845-A1 ORGANIC SEMICONDUCTOR MATERIAL TOYOBO CO., LTD. (JP) 2017-03-09 US disclosed
US-20170069845-A1 ORGANIC SEMICONDUCTOR MATERIAL TOYOBO CO., LTD. (JP) 2017-03-09 US disclosed
EP-3106484-A1 ORGANIC SEMICONDUCTOR MATERIAL Toyobo Co., Ltd. (JP) 2016-12-21 EP disclosed
WO-2015122321-A1 ORGANIC SEMICONDUCTOR MATERIAL 東洋紡株式会社 2015-08-20 WO disclosed
US-8816035-B2 Photoactive polymers UNIVERSITE LAVAL (CA) 2014-08-26 US disclosed
US-20130172508-A1 FLUORENE-CONTAINING ORGANIC SEMICONDUCTOR MATERIAL, PREPARATION METHOD AND USE THEREOF OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-07-04 US disclosed
US-20130172508-A1 FLUORENE-CONTAINING ORGANIC SEMICONDUCTOR MATERIAL, PREPARATION METHOD AND USE THEREOF OCEAN'S KING LIGHTING SCIENCE & TECHNOLOGY CO., LTD. (CN) 2013-07-04 US disclosed
US-20130048075-A1 NOVEL PHOTOACTIVE POLYMERS UNIVERSITE LAVAL (CA) 2013-02-28 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 (1 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-20170069845-A1 ORGANIC SEMICONDUCTOR MATERIAL TST, TH, TPR ALDH1A1 580/4885KDM4E 3605/4885THRB 687/4885

“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.