SCHEMBL2294018

SCHEMBL2294018

CC(C)(C)c1ccc(C=CC=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
ALDH1A1 P00352 4/20 0.54
MAPT P10636 3/20 0.54
KDM4E B2RXH2 2/20 0.54
LMNA P02545 5/20 0.52
MAPK1 P28482 2/20 0.52
TRPA1 O75762 1/20 0.52
ALOX5 P09917 1/20 0.52
GABBR2 O75899 1/20 0.48
GABBR1 Q9UBS5 1/20 0.48
XDH P47989 2/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TRPV1 Q8NER1 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 3/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 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
SCHEMBL2294016 1.00 CYP1A2 (0.57) CYP1A2ALDH1A1MAPTKDM4ELMNA
SCHEMBL29349761 0.86 CYP1A2 (0.59) CYP1A2ALDH1A1MAPTKDM4ELMNA
SCHEMBL1825727 0.81 CYP1A2 (0.64) CYP1A2ALDH1A1MAPTKDM4ELMNA
SCHEMBL1825729 0.81 CYP1A2 (0.64) CYP1A2ALDH1A1MAPTKDM4ELMNA
SCHEMBL1310216 0.81 ALDH1A1 (0.75) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL1310214 0.81 ALDH1A1 (0.75) ALDH1A1MAPTKDM4ELMNAMAPK1
SCHEMBL13991702 0.80 ALDH1A1 (0.47) CYP1A2ALDH1A1MAPTKDM4ELMNA
SCHEMBL14494738 0.80 ALDH1A1 (0.47) CYP1A2ALDH1A1MAPTKDM4ELMNA
SCHEMBL5441911 0.80 CYP1A2 (0.59) CYP1A2ALDH1A1MAPTKDM4ELMNA
SCHEMBL5441914 0.80 CYP1A2 (0.59) CYP1A2ALDH1A1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256421-A1 Propanal Production Methods O'LAUGHLIN INDUSTRIES, CO. LTD. (CN) 2010-10-07 US claimed
EP-2233556-A1 Isomeric mixture of meta and para tertio-butylphenyl propanal and production thereof O'Laughlin Industries, Co. Ltd. (HK) 2010-09-29 EP claimed
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
EP-0652861-B1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN PERFUME PRODUCTS FIRMENICH & CIE (CH) 1997-09-03 EP claimed
EP-0652861-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN PERFUME PRODUCTS. FIRMENICH & CIE (CH) 1995-05-17 EP claimed
WO-1994027946-A1 NOVEL AROMATIC COMPOUNDS AND THEIR USE IN PERFUME PRODUCTS FIRMENICH S.A. (CH) 1994-12-08 WO claimed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-112979632-B Synthesis method of 4-hydroxy-1, 3-thiazine-2-thioketone compound 台州学院 2022-08-30 CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
CN-112979632-A Synthesis method of 4-hydroxy-1, 3-thiazine-2-thioketone compound 台州学院 2021-06-18 CN disclosed
CN-107641086-B Synthetic method of nitroolefin compound 浙江工业大学 2020-05-22 CN 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
US-4996365-A Preparation of alkyl-substituted cinnamaldehydes BASF AKTIENGESELLSCHAFT (DE) 1991-02-26 US disclosed
US-4950467-A SUNSCREEN AGENT CONTAINING 5-PHENYL-PENTADIENOATE ESTER ICI AMERICAS INC. (US) 1990-08-21 US disclosed
US-4087549-A Sulphonic acid containing indenyl derivatives MERCK & CO., INC. (US) 1978-05-02 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 (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-20100256421-A1 Propanal Production Methods ALDH2, ALDH1A3, TERT CYP1A2 475/4885ALDH1A1 4/4885MAPT 1064/4885

“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.