SCHEMBL166668

SCHEMBL166668

O=C=Nc1ccc(Oc2ccccc2)c(N=C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.49
TRPA1 O75762 1/20 0.49
FURIN P09958 1/20 0.44
TDP1 Q9NUW8 2/20 0.40
MAPK1 P28482 1/20 0.40
TTR P02766 4/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LTA4H P09960 1/20 0.34
TSPO P30536 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
SCHEMBL241344 0.90 CYP3A4 (0.51) CYP3A4TRPA1FURINTDP1MAPK1
SCHEMBL10906029 0.87 CYP3A4 (0.45) CYP3A4TRPA1FURINTDP1MAPK1
SCHEMBL9359283 0.85 CYP3A4 (0.50) CYP3A4TRPA1FURINTDP1MAPK1
SCHEMBL1191181 0.83 CYP1A2 (0.53) CYP3A4MAPK1LMNAKMT2AALDH1A1
SCHEMBL673041 0.81 KMT2A (0.44) CYP3A4TDP1MAPK1LMNAGAA
SCHEMBL9359157 0.80 CYP3A4 (0.49) CYP3A4TRPA1FURINTDP1MAPK1
SCHEMBL1071989 0.80 CYP3A4 (0.40) CYP3A4TRPA1FURINTDP1MAPK1
SCHEMBL29812870 0.80 CYP3A4 (0.40) CYP3A4TRPA1FURINTDP1MAPK1
SCHEMBL9359042 0.80 CYP3A4 (0.43) CYP3A4TRPA1TDP1MAPK1TTR
SCHEMBL9359064 0.79 CYP3A4 (0.69) CYP3A4TRPA1FURINTDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210369911-A1 HYDROGEL COMPOSITIONS UNIVERSITÉ DE HAUTE-ALSACE (FR) 2021-12-02 US claimed
CN-108137780-B Preparation of polyamideimides 亨斯迈先进材料许可(瑞士)有限公司 2021-07-30 CN claimed
EP-3569625-A1 POLYURETHANE HOTMELT ADHESIVE WHICH DO NOT CAUSE POLARIZER DISCOLORATION AT HTHH CONDITON Henkel AG & Co. KGaA (DE) 2019-11-20 EP claimed
US-9586446-B2 Ballistic resilient run-flat tire, kit and method thereof ACCELLA POLYURETHANE SYSTEMS LLC (US) 2017-03-07 US claimed
US-20160361956-A1 BALLISTIC RESILIENT RUN-FLAT TIRE, KIT AND METHOD THEREOF ACCELLA POLYURETHANE SYSTEMS LLC 2016-12-15 US claimed
EP-2819855-A1 BALLISTIC RESILIENT RUN-FLAT TIRE, KIT AND METHOD THEREOF Arnco, Inc. (US) 2015-01-07 EP claimed
WO-2013130113-A1 BALLISTIC RESILIENT RUN-FLAT TIRE, KIT AND METHOD THEREOF ARNCO (US) 2013-09-06 WO claimed
US-20130220507-A1 BALLISTIC RESILIENT RUN-FLAT TIRE, KIT AND METHOD THEREOF ARNCO (US) 2013-08-29 US claimed
US-7101954-B2 Polymeric urethane ester quats and their use in personal care compositions ALZO INTERNATIONAL, INC. (US) 2006-09-05 US claimed
US-7087700-B2 Polymeric urethane ester tertiary amines and related personal care formulations ALZO INTERNATIONAL, INC. (US) 2006-08-08 US claimed
US-20040086482-A1 Polymeric urethane ester tertiary amines and related personal care formulations ZOFCHAK ALBERT (US) 2004-05-06 US claimed
US-20030086950-A1 Polymeric urethane ester quats and their use in personal care compositions ALZO, INC. 2003-05-08 US claimed
WO-2003016247-A2 POLYMERIC URETHANE ESTER QUATS AND THEIR USE IN PERSONAL CARE COMPOSITIONS ALZO INTERNATIONAL, INC. (US) 2003-02-27 WO claimed
US-5352527-A Having heat resistant protective layer containing amine-modified polysiloxane, polyisocyanate and reaction product between these RICOH COMPANY, LTD. (JP) 1994-10-04 US claimed
US-4618635-A RADIATION CURABLE; HIGH TENSILE STRENGTH UNION CARBIDE CORPORATION (US) 1986-10-21 US claimed
US-4585702-A CURED POLYMERIC BINDER COMPRISING LACTONE-ACRYLATE ADDUCT UNION CARBIDE CORPORATION (US) 1986-04-29 US claimed
EP-0133908-A2 Compositions useful in curable coatings UNION CARBIDE CORPORATION (US) 1985-03-13 EP claimed
US-4321350-A Process for the catalytic setting of polyurethane molding compositions GAMBRO DIALYSATOREN KG (DE) 1982-03-23 US claimed
US-4131693-A Hardenable polyesterurethane composition for producing a directly tinnable wire DR. BECK & CO AG (DE) 1978-12-26 US claimed
US-3937673-A DIELECTRICS PHELPS DODGE INDUSTRIES, INC. (US) 1976-02-10 US claimed

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-20030086950-A1 Polymeric urethane ester quats and their use in personal care compositions HHAT, CUTA, DEK CYP3A4 1843/4885TRPA1 448/4885FURIN 4178/4885
US-20040086482-A1 Polymeric urethane ester tertiary amines and related personal care formulations BCKDK, DEK, ITK CYP3A4 1643/4885TRPA1 161/4885FURIN 3887/4885

“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.