SCHEMBL4604409

SCHEMBL4604409

CC12CC3(C)CC(c4ccc(O)c(C5CCCCC5)c4)(C1)CC(c1ccc(O)c(C4CCCCC4)c1)(C2)C3

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.50
NUDT1 P36639 1/20 0.43
BACE1 P56817 1/20 0.43
THRB P10828 2/20 0.34
ACMSD Q8TDX5 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
KMT2A Q03164 1/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
THRA P10827 1/20 0.30

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
SCHEMBL17042472 0.89 HSP90AA1 (0.43) HSP90AA1NUDT1BACE1THRB
SCHEMBL17042266 0.89 HSP90AA1 (0.43) HSP90AA1NUDT1BACE1THRB
SCHEMBL17042254 0.89 HSP90AA1 (0.43) HSP90AA1NUDT1BACE1THRB
SCHEMBL17042274 0.87 HSP90AA1 (0.41) HSP90AA1NUDT1BACE1THRB
SCHEMBL17042265 0.87 HSP90AA1 (0.46) HSP90AA1NUDT1BACE1THRBACMSD
SCHEMBL30374852 0.82 HSP90AA1 (0.49) HSP90AA1NUDT1BACE1THRBACMSD
SCHEMBL6759210 0.82 HSP90AA1 (0.49) HSP90AA1NUDT1BACE1THRBACMSD
SCHEMBL17042532 0.82 HSP90AA1 (0.44) HSP90AA1NUDT1BACE1THRBACMSD
SCHEMBL17042549 0.82 HSP90AA1 (0.44) HSP90AA1NUDT1BACE1THRBACMSD
SCHEMBL31402587 0.82 HSP90AA1 (0.44) HSP90AA1NUDT1BACE1THRBACMSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-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-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
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 (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-20150299110-A1 METHOD FOR PRODUCING CYANOGEN-HALIDE, CYANATE ESTER COMPOUND AND METHOD FOR PRODUCING THE SAME, AND RESIN COMPOSITION MB, CBR3, CRYAA HSP90AA1 1227/4885NUDT1 1108/4885BACE1 3932/4885
US-20030187307-A1 Hydroxyphenyl adamantanes and process for the production of the same CYP8B1, DHPS, P4HA1 HSP90AA1 1741/4885NUDT1 312/4885BACE1 6/4885

“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.