SCHEMBL4606957

SCHEMBL4606957

Cc1cc(C23CC4(C)CC(C)(C2)CC(c2ccc(O)c(C)c2)(C4)C3)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.51
ESR2 Q92731 10/20 0.51
TDP1 Q9NUW8 2/20 0.41
TP53 P04637 1/20 0.41
PDE10A Q9Y233 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
XBP1 P17861 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.36
GFER P55789 1/20 0.36
AR P10275 4/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 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
SCHEMBL17042285 0.86 ESR1 (0.43) ESR1ESR2TDP1TP53PDE10A
SCHEMBL17042453 0.86 ESR1 (0.43) ESR1ESR2TDP1TP53PDE10A
SCHEMBL17042429 0.86 ESR1 (0.43) ESR1ESR2TDP1TP53PDE10A
SCHEMBL31402579 0.86 ESR1 (0.43) ESR1ESR2TDP1TP53PDE10A
SCHEMBL17042297 0.84 ESR1 (0.41) ESR1ESR2TDP1TP53PDE10A
SCHEMBL31402583 0.84 ESR1 (0.41) ESR1ESR2TDP1TP53PDE10A
SCHEMBL28207465 0.82 ESR1 (0.45) ESR1ESR2TDP1TP53PDE10A
SCHEMBL17042474 0.82 ESR1 (0.45) ESR1ESR2TDP1TP53PDE10A
SCHEMBL17042351 0.79 ACHE (0.46) ESR1ESR2ALDH1A1CYP2C9
SCHEMBL6759186 0.79 ESR1 (0.51) ESR1ESR2TDP1TP53PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025022768-A1 CYANATE ESTER COMPOUND AND METHOD FOR PRODUCING SAME, RESIN COMPOSITION, AND CURED PRODUCT 三菱瓦斯化学株式会社 2025-01-30 WO disclosed
WO-2025022769-A1 CYANATE ESTER COMPOUND AND METHOD FOR PRODUCING SAME, RESIN COMPOSITION, AND CURED PRODUCT 三菱瓦斯化学株式会社 2025-01-30 WO disclosed
EP-2913302-B1 CYANOGEN-HALIDE PRODUCTION METHOD, CYANATE ESTER COMPOUND AND PRODUCTION METHOD THEREFOR, AND RESIN COMPOSITION MITSUBISHI GAS CHEMICAL CO (JP) 2019-04-10 EP disclosed
US-9949369-B2 Cyanate ester compound, curable resin composition containing the same, and hardened product thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-04-17 US disclosed
US-9949369-B2 Cyanate ester compound, curable resin composition containing the same, and hardened product thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-04-17 US disclosed
US-9949369-B2 Cyanate ester compound, curable resin composition containing the same, and hardened product thereof MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2018-04-17 US disclosed
US-9475761-B2 Method for producing cyanogen-halide, cyanate ester compound and method for producing the same, and resin composition MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-10-25 US disclosed
US-20160262263-A1 CYANATE ESTER COMPOUND, CURABLE RESIN COMPOSITION CONTAINING THE SAME, AND HARDENED PRODUCT THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-09-08 US disclosed
US-20160262263-A1 CYANATE ESTER COMPOUND, CURABLE RESIN COMPOSITION CONTAINING THE SAME, AND HARDENED PRODUCT THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-09-08 US disclosed
US-20160262263-A1 CYANATE ESTER COMPOUND, CURABLE RESIN COMPOSITION CONTAINING THE SAME, AND HARDENED PRODUCT THEREOF MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-09-08 US disclosed
EP-3061745-A1 CYANIC ACID ESTER COMPOUND, CURABLE RESIN COMPOSITION CONTAINING SAID COMPOUND, AND CURED PRODUCT THEREOF Mitsubishi Gas Chemical Company, Inc. (JP) 2016-08-31 EP disclosed
WO-2016063889-A1 1,3-BIS(3-METHYL-4-HYDROXYPHENYL)-5,7-DIMETHYL-ADAMANTANE AND METHOD FOR PREPARING SAME, AND AROMATIC POLYCARBONATE RESIN AND METHOD FOR PREPARING SAME 三菱瓦斯化学株式会社 2016-04-28 WO disclosed
US-20150299110-A1 METHOD FOR PRODUCING CYANOGEN-HALIDE, CYANATE ESTER COMPOUND AND METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-10-22 US disclosed
EP-2913302-A1 CYANOGEN-HALIDE PRODUCTION METHOD, CYANATE ESTER COMPOUND AND PRODUCTION METHOD THEREFOR, AND RESIN COMPOSITION Mitsubishi Gas Chemical Company, Inc. (JP) 2015-09-02 EP disclosed
US-7456323-B2 1,3-bis(3-formyl-4-hydroxyphenyl)adamantanes and polynuclear polyphenols derived therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2008-11-25 US disclosed
US-20080242896-A1 1,3-Bis(3-Formyl-4-Hydroxyphenyl)Adamantanes and Polynuclear Polyphenols Derived Therefrom HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2008-10-02 US disclosed
EP-1336597-B1 Hydroxyphenyl adamantanes and process for the production of the same HONSHU CHEMICAL IND (JP) 2008-07-16 EP disclosed
US-6720460-B2 FORMING HEAT RESISTANT, MECHANICAL STRENGTH POLYMER ADDITIVES; ACID CATALYZED REACTION OF ADAMANTANE DIOL OR TRIOL WITH PHENOLIC DERIVATIVE HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2004-04-13 US disclosed
US-20030187307-A1 Hydroxyphenyl adamantanes and process for the production of the same HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2003-10-02 US disclosed
EP-1336597-A1 Hydroxyphenyl adamantanes and process for the production of the same Honshu Chemical Industry Co., Ltd. (JP) 2003-08-20 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-20150299110-A1 METHOD FOR PRODUCING CYANOGEN-HALIDE, CYANATE ESTER COMPOUND AND METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION MB, CBR3, CRYAA ESR1 2572/4885ESR2 3698/4885TDP1 3092/4885
US-20030187307-A1 Hydroxyphenyl adamantanes and process for the production of the same CYP8B1, DHPS, P4HA1 ESR1 4719/4885ESR2 4436/4885TDP1 163/4885
US-20080242896-A1 1,3-Bis(3-Formyl-4-Hydroxyphenyl)Adamantanes and Polynuclear Polyphenols Derived Therefrom HNMT, NEFM, CD69 ESR1 2358/4885ESR2 3005/4885TDP1 150/4885
US-20160262263-A1 CYANATE ESTER COMPOUND, CURABLE RESIN COMPOSITION CONTAINING THE SAME, AND HARDENED PRODUCT THEREOF DOT1L, CRBN, MLLT1 ESR1 902/4885ESR2 1050/4885TDP1 3621/4885

“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.