SCHEMBL5645154

SCHEMBL5645154

CCCCCCC[CH]NCC

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
FAAH O00519 2/20 0.46
TRPV1 Q8NER1 2/20 0.46
EPHX1 P07099 2/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH4 P08319 1/20 0.42
ADH7 P40394 1/20 0.42
THRB P10828 1/20 0.42
DNM1 Q05193 3/20 0.39
EP300 Q09472 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
SCHEMBL22122694 1.00 TSHR (0.52) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL5646725 1.00 TSHR (0.52) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL16892594 1.00 TSHR (0.52) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL10886305 1.00 TSHR (0.52) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL8327207 1.00 TSHR (0.52) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL16892544 1.00 TSHR (0.52) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL644844 0.97
SCHEMBL646484 0.89
SCHEMBL16892555 0.82 EPHX1 (0.58) TSHRFAAHTRPV1EPHX1ADH1B
SCHEMBL1951524 0.82 EPHX1 (0.52) TSHRFAAHTRPV1EPHX1ADH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2894685-B1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DAINIPPON INK & CHEMICALS (JP) 2018-10-31 EP disclosed
US-9490433-B2 Benzothienobenzothiophene derivative, organic semiconductor material, and organic transistor DIC CORPORATION (JP) 2016-11-08 US disclosed
US-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DIC CORPORATION (JP) 2015-08-13 US disclosed
EP-2894685-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR DIC Corporation (JP) 2015-07-15 EP disclosed
US-7276600-B2 Phthalocyanine derivatives and their applications in optical recording media TSAI YEN CHENG 2007-10-02 US disclosed
US-20060292494-A1 Novel phthalocyanine derivatives, synthetic process thereof and their applications in optical recording media TSAI YEN C 2006-12-28 US disclosed
US-20060281026-A1 Phthalocyanine derivatives and their applications in optical recording media TSAI YEN C 2006-12-14 US disclosed
EP-1048655-B1 1,2-DIHYDRO-2-OXOQUINOLINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2004-09-01 EP disclosed
EP-1048651-B1 NITROGEN-CONTAINING TETRACYCLIC COMPOUNDS TAISHO PHARMACEUTICAL CO LTD (JP) 2003-05-14 EP disclosed
US-6380384-B1 ANXIOLYTIC AGENTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2002-04-30 US disclosed
US-20020049323-A1 1,2-Dihydro-2-oxoquinoline derivatives NAKAZATO ATSURO (JP) 2002-04-25 US disclosed
US-6329525-B1 1,2-Dihydro-2-oxoquinoline derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-12-11 US disclosed
US-6281355-B1 Nitrogen-containing tetracyclic compounds TAISHO PHARMACEUTICAL CO., LTD. (JP) 2001-08-28 US disclosed
EP-1048655-A1 1,2-DIHYDRO-2-OXOQUINOLINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-11-02 EP disclosed
EP-1048651-A1 NITROGEN-CONTAINING TETRACYCLIC COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-11-02 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 (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-20060292494-A1 Novel phthalocyanine derivatives, synthetic process thereof and their applications in optical recording media TRPC3, TRPA1, TRPC6 TSHR 2593/4885FAAH 4818/4885TRPV1 40/4885
US-20020049323-A1 1,2-Dihydro-2-oxoquinoline derivatives NR5A1, SRD5A1, SRD5A2 TSHR 1513/4885FAAH 1250/4885TRPV1 3189/4885
US-20060281026-A1 Phthalocyanine derivatives and their applications in optical recording media CRY2, CACNA1C, CRY1 TSHR 3982/4885FAAH 3539/4885TRPV1 58/4885
US-20150228913-A1 BENZOTHIENOBENZOTHIOPHENE DERIVATIVE, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC TRANSISTOR TST, TPST2, TPR TSHR 2341/4885FAAH 4747/4885TRPV1 824/4885

“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.