SCHEMBL3480852

SCHEMBL3480852

C=Cc1cc(N)ccc1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.37
CYP3A4 P08684 6/20 0.35
ALDH1A1 P00352 6/20 0.35
TDP1 Q9NUW8 5/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
RECQL P46063 3/20 0.35
ALOX15 P16050 3/20 0.35
MAPT P10636 3/20 0.35
THRB P10828 2/20 0.35
PKM P14618 2/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
BLM P54132 1/20 0.35
MCL1 Q07820 1/20 0.35
TSHR P16473 3/20 0.34
HSD17B10 Q99714 3/20 0.34
HPGD P15428 1/20 0.34
PTPN11 Q06124 1/20 0.33

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
Ethylene Glycol SCHEMBL6941246 0.89 THRB (0.34) CASP1CYP3A4ALDH1A1TDP1MEN1
Ethylene Glycol SCHEMBL6946032 0.88 THRB (0.33) CASP1CYP3A4ALDH1A1TDP1MEN1
SCHEMBL25941241 0.82 PTPN11 (0.39) CASP1CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL5711555 0.80 CASP1 (0.37) CASP1CYP3A4ALDH1A1TDP1MEN1
SCHEMBL346045 0.80 TSHR (0.38) CASP1CYP3A4ALDH1A1TDP1MEN1
SCHEMBL3680895 0.80 CASP1 (0.42) CASP1CYP3A4ALDH1A1TDP1MEN1
SCHEMBL5253253 0.79 CASP1 (0.40) CASP1CYP3A4ALDH1A1TDP1MEN1
SCHEMBL14135594 0.78 ALDH1A1 (0.46) ALDH1A1TDP1MAPTPKMTSHR
SCHEMBL21183007 0.78 CASP1 (0.32) CASP1CYP3A4ALDH1A1TDP1MEN1
SCHEMBL21021741 0.76 CYP3A4 (0.52) CASP1CYP3A4ALDH1A1TDP1RECQL

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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109148796-A Acid for lithium ion electrochemical cells power-performance removes function diaphragm 通用汽车环球科技运作有限责任公司 2019-01-04 CN claimed
US-5213934-A Core of colorant and binder grafted to polymeric shell XEROX CORPORATION (US) 1993-05-25 US claimed
CN-113698724-A SBS modified liquid crystal polymer composite material and preparation method thereof 宁夏清研高分子新材料有限公司 2021-11-26 CN disclosed
CN-113621212-A Liquid crystal polymer composite material doped with carbon nano tube and preparation method thereof 宁夏清研高分子新材料有限公司 2021-11-09 CN disclosed
CN-109148796-A Acid for lithium ion electrochemical cells power-performance removes function diaphragm 通用汽车环球科技运作有限责任公司 2019-01-04 CN disclosed
US-9929348-B2 Organic semiconductor composition comprising organic semiconductor material and polymer compound FUJIFILM CORPORATION (JP) 2018-03-27 US disclosed
US-9929348-B2 Organic semiconductor composition comprising organic semiconductor material and polymer compound FUJIFILM CORPORATION (JP) 2018-03-27 US disclosed
US-9343594-B2 Conductive composition, conductive member and production method thereof, touch panel, and solar cell FUJIFILM CORPORATION (JP) 2016-05-17 US disclosed
US-9343594-B2 Conductive composition, conductive member and production method thereof, touch panel, and solar cell FUJIFILM CORPORATION (JP) 2016-05-17 US disclosed
CN-105579445-A Heterocyclic compound and organic light emitting device including the same LG CHEMICAL LTD 2016-05-11 CN disclosed
CN-105431423-A Heterocyclic compound and organic light emitting device comprising the same LG CHEMICAL LTD 2016-03-23 CN disclosed
CN-101432278-A Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2009-05-13 CN disclosed
CN-1279015-C Process for producing high-purity alkyladamantyl esters TOKUYAMA CORP (JP) 2006-10-11 CN disclosed
CN-1781898-A Decomposition inhibitor or storage stabilizer for alkyl adamantyl ester and use thereof TOKUYAMA CORP (JP) 2006-06-07 CN disclosed
US-20050271833-A1 Liquid crystal display HITACHI DISPLAYS, LTD. 2005-12-08 US disclosed
CN-1697831-A Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS INC (US) 2005-11-16 CN disclosed
US-6849766-B2 1,4-diamino-2-alkenylbenzene derivatives, and dyes containing these compounds WELLA AKTIENGESELLSCHAFT (DE) 2005-02-01 US disclosed
CN-1430595-A Process for producing high-purity alkyladamantyl esters TOKUYAMA CORP (JP) 2003-07-16 CN disclosed
US-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2003-07-03 US disclosed
US-5213934-A Core of colorant and binder grafted to polymeric shell XEROX CORPORATION (US) 1993-05-25 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-20030121110-A1 Novel 1,4-diamino-2-alkenylbenzene derivatives , and dyes containing these compounds AOC1, AOX1, GPX1 CASP1 550/4885CYP3A4 441/4885ALDH1A1 5/4885

“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.