SCHEMBL5892136

SCHEMBL5892136

CCn1c2ccccc2c2cc(C#N)ccc21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.63
RORC P51449 9/20 0.63
KDM4E B2RXH2 5/20 0.59
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HTT P42858 2/20 0.59
MAPK1 P28482 2/20 0.59
HBB P68871 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CASP1 P29466 1/20 0.55
LMNA P02545 3/20 0.52
POLB P06746 2/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL29643208 1.00 PTGER4 (0.63) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL21076080 0.92 RORC (0.52) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL21599721 0.90 PTGER4 (0.59) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL16119985 0.88 ALDH1A1 (0.56) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL97588 0.85 PTGER4 (0.54) PTGER4RORC
SCHEMBL17614522 0.85 PTGER4 (0.53) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL18010701 0.84 PTGER4 (0.52) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL18010711 0.84 PTGER4 (0.52) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL1052731 0.84 MAPT (0.59) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL1740131 0.84 MAPT (0.59) PTGER4RORCKDM4EMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61218587-A None JP disclosed
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2016-01-28 US disclosed
WO-2014153043-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS HEALTH RESEARCH, INC. (US) 2014-09-25 WO disclosed
US-7060843-B1 Electroluminescent devices comprising diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-06-13 US disclosed
US-7001677-B2 Electroluminescent devices comprising diketopyrrolopyrroles CIBA SPECIALTY CHEMICALS CORPORATION (US) 2006-02-21 US disclosed
EP-1087005-B1 Fluorescent diketopyrrolopyrroles CIBA SC HOLDING AG (CH) 2004-02-25 EP disclosed
US-20040009368-A1 Electroluminescent devices comprising diketopyrrolopyrroles OTANI JUNJI (JP) 2004-01-15 US disclosed
EP-1087006-B1 Electroluminescent devices comprising diketopyrrolopyrroles CIBA SC HOLDING AG (CH) 2003-10-15 EP disclosed
US-20030187106-A1 Red, organge color; photostability, heat resistance MORETTI ROBERT (CH) 2003-10-02 US disclosed
US-6603020-B1 Exhibiting a red or orange fluorescence CIBA SPECIALTY CHEMICALS CORPORATION 2003-08-05 US disclosed
EP-1329493-A2 Electroluminescent devices comprising diketopyrrolopyrroles Ciba SC Holding AG (CH) 2003-07-23 EP disclosed
EP-1087005-A1 Fluorescent diketopyrrolopyrroles Ciba SC Holding AG (CH) 2001-03-28 EP disclosed
EP-1087006-A1 Electroluminescent devices comprising diketopyrrolopyrroles Ciba SC Holding AG (CH) 2001-03-28 EP disclosed
JP-S61218587-A 5-(3-(9-ETHYL)CARBAZOLYL)TETRAZOLE AND ITS PRODUCTION RICOH CO LTD 1986-09-29 JP disclosed
US-4192677-A ELECTROGRAPHIC CHARGE TRANSFER COMPOUNDS RICOH CO., LTD. (JP) 1980-03-11 US disclosed
US-4141729-A 1,3,4-Oxadiazole derivatives and electrophotographic plates containing same RICOH COMPANY, LTD. (JP) 1979-02-27 US disclosed
US-4111850-A CHARGE TRANSFER COMPLEX OF A FLUORENONE AND A CARBAZOLE AMP INCORPORATED (US) 1978-09-05 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 (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-20030187106-A1 Red, organge color; photostability, heat resistance CBR1, CBR3, DPP8 PTGER4 2735/4885RORC 209/4885KDM4E 2949/4885
US-20160024083-A1 COMPOUNDS AND METHODS FOR TREATING CANCERS AR, KLK3, BRDT PTGER4 838/4885RORC 119/4885KDM4E 1549/4885

“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.