SCHEMBL871450

SCHEMBL871450

[O]C(=O)OC(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
LMNA P02545 4/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.43
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
SRD5A2 P31213 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
KIF11 P52732 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 1/20 0.41
IDO1 P14902 1/20 0.41

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
SCHEMBL28752431 0.85 ESR1 (0.59) ESR1ESR2CYP2D6SRCCRHBP
SCHEMBL3990914 0.85 ESR1 (0.59) ESR1ESR2CYP2D6SRCCRHBP
SCHEMBL1954 0.84 ESR1 (0.53) ESR1ESR2CYP2D6SRCCRHBP
SCHEMBL871451 0.83 ESR1 (0.57) ESR1ESR2CYP2D6SRCCRHBP
SCHEMBL28752433 0.81 ESR1 (0.55) ESR1ESR2CYP2D6SRCCRHBP
SCHEMBL28196464 0.81 ESR1 (0.55) ESR1ESR2CYP2D6SRCCRHBP
SCHEMBL18657153 0.81 ESR1 (0.55) ESR1ESR2CYP2D6SRCCRHBP
Hydrochloric Acid SCHEMBL11846585 0.81 ESR1 (0.55) ESR1ESR2CYP2D6SRCCRHBP
SCHEMBL1955 0.79 ESR1 (0.53) ESR1ESR2CYP2D6SRCCRHBP
SCHEMBL11000173 0.79 KMT2A (0.57) ESR1ESR2CYP2D6SRCCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019078171-A1 METHOD FOR CONCENTRATING OR SEPARATING POLYMER COMPOUND 国立大学法人京都大学 2019-04-25 WO disclosed
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-16 US disclosed
US-20160130498-A1 POLYMER PROPPANT AND METHOD FOR PRODUCING SAME OTKRYTOE AKTSYONERNOE OBSCHESTVO "ROSNEFT OIL COMPANY" (RU) 2016-05-12 US disclosed
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-07-23 US disclosed
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-19 US disclosed
US-8901171-B2 Compounds for suppressing a peripheral nerve disorder induced by an anti-cancer agent TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-02 US disclosed
US-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-12-26 US disclosed
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED 2013-02-21 US disclosed
US-RE43858-E1 Substituted cycloalkene derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-12-11 US disclosed
EP-2528598-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI - CANCER AGENT Takeda Pharmaceutical Company Limited (JP) 2012-12-05 EP disclosed
US-4301278-A BY HYDROGENATION IN THE PRESENCE OF A CATALYST CIBA-GEIGY CORPORATION (US) 1981-11-17 US disclosed
US-4293462-A Process for the manufacture of enol derivatives, and intermediates CIBA-GEIGY CORPORATION (US) 1981-10-06 US disclosed
US-4256739-A 7β-Amino-3-thio-3-cephem-4-carboxylic acid compounds, and antibacterial compositions and methods using them CIBA-GEIGY CORPORATION (US) 1981-03-17 US disclosed
US-4255328-A CEPHALOSPORINS CIBA-GEIGY CORPORATION (US) 1981-03-10 US disclosed
US-4183928-A Haloarylmalonamidooxacephalosporins SHIONOGI AND CO., LTD. (JP) 1980-01-15 US disclosed
US-4147864-A Process for the manufacture of 7β-amino-3-cephem-3-ol-4 carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1979-04-03 US disclosed
US-4112110-A Oxygenated azatetracyclic compounds CIBA-GEIGY CORPORATION (US) 1978-09-05 US disclosed
US-4110533-A PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-08-29 US disclosed
US-4014874-A Process for the manufacture of 3-substituted thiomethyl-7-amino-2-cephem-4-carboxylic acid compound CIBA-GEIGY CORPORATION (US) 1977-03-29 US disclosed
US-4013650-A PROCESS FOR THE MANUFACTURE OF 3-METHYLENE-CEPHAM COMPOUNDS CIBA-GEIGY CORPORATION (US) 1977-03-22 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 (5 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-20130345304-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF ESR1 4657/4885ESR2 3902/4885CYP2D6 4668/4885
US-20150203464-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF ESR1 4657/4885ESR2 3902/4885CYP2D6 4668/4885
US-20130046000-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF ESR1 4657/4885ESR2 3902/4885CYP2D6 4668/4885
US-20160166526-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF ESR1 4657/4885ESR2 3902/4885CYP2D6 4668/4885
US-20150051256-A1 COMPOUNDS FOR SUPPRESSING A PERIPHERAL NERVE DISORDER INDUCED BY AN ANTI-CANCER AGENT PMP22, GAP43, NGF ESR1 4657/4885ESR2 3902/4885CYP2D6 4668/4885

“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.