SCHEMBL7184445

SCHEMBL7184445

CC(C)(C)Oc1ccc(C=CC=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.48
LMNA P02545 3/20 0.47
TRPA1 O75762 2/20 0.47
ALOX5 P09917 1/20 0.47
MAPK1 P28482 1/20 0.47
XDH P47989 2/20 0.41
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CDK4 P11802 2/20 0.39
CCNB1 P14635 2/20 0.39
CCND1 P24385 2/20 0.39
CCNB3 Q8WWL7 2/20 0.39
CYP2A6 P11509 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9998062 1.00 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTLMNATRPA1
SCHEMBL2097570 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTLMNATRPA1
SCHEMBL5535850 0.81 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTLMNATRPA1
SCHEMBL4582901 0.81 MAOB (0.54) ALDH1A1KDM4ELMNATRPA1ALOX5
SCHEMBL387263 0.79 ALDH1A1 (0.58) ALDH1A1KDM4EMAPTLMNACYP2A6
SCHEMBL3329743 0.79 APP (0.57) ALDH1A1KDM4EMAPTLMNATRPA1
SCHEMBL9036416 0.79 CCNB2 (0.54) ALDH1A1LMNATRPA1ALOX5MAPK1
SCHEMBL7341717 0.79 CCNB2 (0.54) ALDH1A1LMNATRPA1ALOX5MAPK1
Para-Methoxy Cinnamaldehyde SCHEMBL547945 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTLMNATRPA1
Para-Methoxy Cinnamaldehyde SCHEMBL1046275 0.78 ALDH1A1 (0.61) ALDH1A1KDM4EMAPTLMNATRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP claimed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP claimed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP claimed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US claimed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO claimed
CN-118546167-A Near infrared fluorescent dye and fluorescent composite material 复旦大学 2024-08-27 CN disclosed
US-8558012-B2 2-fluoro-1,3-benzodithiol 1,1,3,3-tetraoxide derivative, production method thereof, and production method of monofluoromethyl group-containing compound using the same NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2013-10-15 US disclosed
US-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME NAGOYA INSTITUTE OF TECHNOLOGY (JP) 2011-12-29 US disclosed
EP-0966456-B1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF UNIV NEW YORK STATE RES FOUND (US) 2003-04-02 EP disclosed
EP-0966456-A4 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF RES FOUNDATION OF (US) 2000-07-26 EP disclosed
EP-0966456-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-12-29 EP disclosed
US-5811452-A ADMINISTERING WITH PACLITAXEL OR DOXORUBICIN THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-09-22 US disclosed
WO-1998030553-A1 TAXOID REVERSAL AGENTS FOR DRUG-RESISTANCE IN CANCER CHEMOTHERAPY AND PHARMACEUTICAL COMPOSITIONS THEREOF THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1998-07-16 WO 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 (1 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-20110319637-A1 2-FLUORO-1,3-BENZODITHIOL 1,1,3,3-TETRAOXIDE DERIVATIVE, PRODUCTION METHOD THEREOF, AND PRODUCTION METHOD OF MONOFLUOROMETHYL GROUP-CONTAINING COMPOUND USING THE SAME CBR1, CYP1B1, CYP2F1 ALDH1A1 160/4885KDM4E 3266/4885MAPT 2206/4885

“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.