SCHEMBL8035362

SCHEMBL8035362

COc1cc(C=O)ccc1C(C)C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.63
TSHR P16473 1/20 0.63
TRIM24 O15164 1/20 0.58
HPGD P15428 1/20 0.58
ALDH5A1 P51649 1/20 0.58
ABAT P80404 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
TRIM33 Q9UPN9 1/20 0.58
FDPS P14324 1/20 0.54
AOX1 Q06278 1/20 0.53
TTR P02766 1/20 0.50
ALDH1A3 P47895 1/20 0.49
MAPT P10636 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TYR P14679 1/20 0.44
CYP2A6 P11509 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL2046004 0.85 ALDH1A1 (0.63) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL1320276 0.84 ALDH1A1 (0.61) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL8006088 0.82 ALDH1A1 (0.55) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL19919455 0.82 ALDH1A1 (0.63) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL16953887 0.81 ALDH1A1 (0.41) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL16959301 0.81 TRPA1 (0.58) ALDH1A1TSHRTRIM24HPGDALDH5A1
SCHEMBL14802239 0.80 TYR (0.59) ALDH1A1TSHRHPGDMAPTSMN1; SMN2
SCHEMBL19919384 0.80 TYR (0.59) ALDH1A1TSHRHPGDMAPTSMN1; SMN2
SCHEMBL28543542 0.79 ALDH1A1 (0.51) ALDH1A1TSHRTRIM24HPGDALDH5A1
Vanillin SCHEMBL7616640 0.78 ALDH1A1 (0.66) ALDH1A1TSHRTRIM24HPGDALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118317952-A Heterocyclic substituted phenol derivatives, process for their preparation and their use 上海泽德曼医药科技有限公司 2024-07-09 CN disclosed
WO-2024078372-A1 HETEROCYCLIC SUBSTITUTED PHENOL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海泽德曼医药科技有限公司 2024-04-18 WO disclosed
US-20230189802-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS BAITS KITTRICH CORPORATION 2023-06-22 US disclosed
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF UNIV IOWA STATE RES FOUND INC (US) 2023-06-08 US disclosed
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2019-02-14 US disclosed
WO-2018039376-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF IOWA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2018-03-01 WO disclosed
US-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM ORGANOFUEL SWEDEN AB (SE) 2017-11-23 US disclosed
US-8383855-B2 Histone deacetylase inhibitors PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-02-26 US disclosed
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. 2010-03-04 US disclosed
WO-2007095584-A2 Histone Deacetylase Inhibitors THE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2007-08-23 WO disclosed
US-6017916-A Nonpeptide endothelin antagonists I WARNER-LAMBERT COMPANY (US) 2000-01-25 US disclosed
US-5691373-A TREATING SUBARACHNOID HEMORRHAGE WARNER-LAMBERT COMPANY (US) 1997-11-25 US disclosed
EP-0714391-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-06-05 EP disclosed
WO-1995005376-A1 SUBSTITUTED 2(5H)FURANONE, 2(5H)THIOPHENONE AND 2(5H)PYRROLONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1995-02-23 WO disclosed
US-4219570-A Insect repellents and a method of repelling insects AJINOMOTO COMPANY, INCORPORATED (JP) 1980-08-26 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 (5 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-20230189802-A1 MONOTERPENOID/PHENYLPROPANOID-CONTAINING COMPOUNDS AND METHODS OF THEIR MAKING AND USE AS BAITS CYP51A1, CYP4A22, ACHE ALDH1A1 1885/4885TSHR 4647/4885TRIM24 3330/4885
US-20190047937-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT ALDH1A1 2604/4885TSHR 4291/4885TRIM24 3692/4885
US-20230174457-A1 INSECT REPELLENT COMPOUNDS AND COMPOSITIONS, AND METHODS THEREOF C5, CYP51A1, DDT ALDH1A1 2604/4885TSHR 4291/4885TRIM24 3692/4885
US-20170334819-A1 A MILD CATALYTIC REDUCTION OF C-O BONDS AND C=O BONDS USING A RECYCLABLE CATALYST SYSTEM CBR1, ADH1C, AOC2 ALDH1A1 198/4885TSHR 4190/4885TRIM24 656/4885
US-20100056588-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC11, HDAC7 ALDH1A1 764/4885TSHR 1402/4885TRIM24 3250/4885

“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.