SCHEMBL111074

SCHEMBL111074

C=CC(=O)OCCCCNCC

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.62
ALDH1A1 P00352 3/20 0.62
CYP3A4 P08684 1/20 0.62
HPGD P15428 1/20 0.61
TP53 P04637 2/20 0.47
HIF1A Q16665 2/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HCAR2 Q8TDS4 2/20 0.40
KDM1A O60341 3/20 0.38
SAT1 P21673 1/20 0.38
ACHE P22303 3/20 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
SCHEMBL9546056 0.98 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL110682 0.98 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL345430 0.95 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL6053194 0.93 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Acrylic Acid SCHEMBL29105074 0.90 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL5366005 0.88 TSHR (0.70) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11590363 0.88 TSHR (0.65) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL109192 0.87 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10950894 0.86 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11519959 0.86 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53

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
CN-101528791-A Hydrophobically modified cationic copolymers CONSTR RES & TECH GMBH (DE) 2009-09-09 CN claimed
US-4129610-A VINYL COPOLYMER, EPOXY RESIN HITACHI CHEMICAL CO., LTD. 1978-12-12 US claimed
US-10772822-B2 Molecularly imprinted polymers and their use as antidandruff agents L'OREAL (FR) 2020-09-15 US disclosed
CN-110234405-A Cosmetic composition comprising cationic copolymer 科莱恩国际有限公司 2019-09-13 CN disclosed
CN-110177816-A Copolymers and their use in detergent compositions 科莱恩国际有限公司 2019-08-27 CN disclosed
CN-110023472-A COPOLYMERS AND THEIR USE IN DETERGENT COMPOSITIONS 科莱恩国际有限公司 2019-07-16 CN disclosed
CN-107709539-A Cell culture apparatus 国立研究开发法人国立循环器病研究中心 2018-02-16 CN disclosed
EP-2938641-B1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS ORÉAL L (FR) 2016-08-24 EP disclosed
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS L'OREAL (FR) 2015-12-03 US disclosed
EP-2938641-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS L'Oréal (FR) 2015-11-04 EP disclosed
WO-2014102206-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS L'OREAL (FR) 2014-07-03 WO disclosed
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed
CN-101528791-A Hydrophobically modified cationic copolymers CONSTR RES & TECH GMBH (DE) 2009-09-09 CN disclosed
US-4129610-A VINYL COPOLYMER, EPOXY RESIN HITACHI CHEMICAL CO., LTD. 1978-12-12 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-10772822-B2 Molecularly imprinted polymers and their use as antidandruff agents DNMT1, POLR1C, ETF1 TSHR 2974/4885ALDH1A1 677/4885CYP3A4 692/4885
US-20150342859-A1 MOLECULARLY IMPRINTED POLYMERS AND THEIR USE AS ANTIDANDRUFF AGENTS DNMT1, POLR1C, ETF1 TSHR 2974/4885ALDH1A1 677/4885CYP3A4 692/4885

“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.