SCHEMBL1126574

SCHEMBL1126574

CCc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CYP2C19 P33261 1/20 0.42
PPARA Q07869 3/20 0.41
PPARG P37231 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
ACACB O00763 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CYP2A6 P11509 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL197077 0.83 ELANE (0.50) PPARAPPARGTSHRALDH1A1ACACB
SCHEMBL20435049 0.82 SMN1; SMN2 (0.40) SMN1; SMN2CYP2C19PPARAPPARGTSHR
SCHEMBL91178 0.82 THRB (0.46) PPARAPPARGALDH1A1ACACBTAAR1
SCHEMBL9206821 0.82 SMN1; SMN2 (0.40) SMN1; SMN2CYP2C19PPARAPPARGTSHR
SCHEMBL26746 0.82 SLC6A2 (0.44) CYP2C19PPARAPPARGTSHRALDH1A1
SCHEMBL19428000 0.81 CYP1A2 (0.53) SMN1; SMN2CYP2C19TP53LMNAMAPT
SCHEMBL155707 0.81 TSHR (0.58) TSHRALDH1A1TP53LMNAMAPT
Alcohol SCHEMBL28244815 0.80 PPARA (0.44) SMN1; SMN2CYP2C19PPARAPPARGTSHR
SCHEMBL24178160 0.80 SMN1; SMN2 (0.36) SMN1; SMN2CYP2C19PPARAPPARGTSHR
SCHEMBL3363834 0.79 PPARA (0.40) CYP2C19PPARAPPARGTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102174074-A Inhibitors of cancer cell, T cell and keratinocyte proliferation 4SC AG 2011-09-07 CN claimed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2023-10-05 US disclosed
US-11584743-B2 Indole derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2023-02-21 US disclosed
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE THE UNIVERSITY OF KANSAS 2021-10-21 US disclosed
US-20210040081-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS Arvinas, Inc. 2021-02-11 US disclosed
CN-105301905-B Chemically amplified positive resist composition and patterning method 信越化学工业株式会社 2020-11-20 CN disclosed
EP-3214497-B1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, PHOTO-CURABLE DRY FILM AND METHOD FOR PRODUCING THE SAME, PATTERNING PROCESS, AND LAMINATE SHINETSU CHEMICAL CO (JP) 2019-08-07 EP disclosed
US-10023555-B2 NSAIDs derivatives and uses thereof RESEARCH FOUNDATION OF THE CITY UNIVERSITY OF NEW YORK (US) 2018-07-17 US disclosed
US-20170285482-A1 ORGANIC PROCESSING LIQUID AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2017-10-05 US disclosed
EP-1693707-A1 Positive resist composition, and patterning process using the same Shinetsu Chemical Co., Ltd. (JP) 2006-08-23 EP disclosed
US-20060020148-A1 Process for producing tertiary phosphine having bulky hydrocarbon group bonded HOLLO CHEMICAL INDUSTRY CO., LTD (JP) 2006-01-26 US disclosed
US-6924323-B2 Sulfonium salt compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-02 US disclosed
CN-1592738-A Bismide compound, acid generator and resist composition each containing the same, and method of forming pattern from the composition WAKO PURE CHEM IND LTD (JP) 2005-03-09 CN disclosed
EP-1473297-A1 PROCESS FOR PRODUCING TERTIARY PHOSPHINE HAVING BULKY HYDROCARBON GROUP BONDED HOKKO CHEMICAL INDUSTRY CO. LTD. (JP) 2004-11-03 EP disclosed
US-20040033434-A1 Sulfonium salt compound FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2004-02-19 US disclosed
EP-1113005-B1 Sulfonium salt compounds WAKO PURE CHEM IND LTD (JP) 2003-08-06 EP disclosed
EP-1314725-A1 SULFONIUM SALT COMPOUND Wako Pure Chemical Industries, Ltd. (JP) 2003-05-28 EP disclosed
EP-1238969-A2 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2002-09-11 EP disclosed
EP-1113005-A1 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2001-07-04 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 (7 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-20210040081-A1 INDOLE DERIVATIVES AS ESTROGEN RECEPTOR DEGRADERS ESR1, GPER1, ESR2 SMN1; SMN2 4744/4885CYP2C19 285/4885PPARA 813/4885
US-20210323941-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, CHRM2 SMN1; SMN2 1312/4885CYP2C19 1358/4885PPARA 2678/4885
US-20060020148-A1 Process for producing tertiary phosphine having bulky hydrocarbon group bonded HRH3, HRH4, HRH1 SMN1; SMN2 2737/4885CYP2C19 2872/4885PPARA 2766/4885
US-11584743-B2 Indole derivatives as estrogen receptor degraders ESR1, GPER1, ESR2 SMN1; SMN2 4744/4885CYP2C19 285/4885PPARA 813/4885
US-20230312511-A1 SELECTIVE D3 DOPAMINE RECEPTOR AGONISTS AND METHODS OF THEIR USE SLC6A3, DRD3, DRD2 SMN1; SMN2 1352/4885CYP2C19 1410/4885PPARA 2743/4885
US-10023555-B2 NSAIDs derivatives and uses thereof PTGES, PTGES3, PTGS1 SMN1; SMN2 2630/4885CYP2C19 159/4885PPARA 325/4885
US-20040033434-A1 Sulfonium salt compound SPIN1, RER1, SPIN2B SMN1; SMN2 838/4885CYP2C19 1633/4885PPARA 2616/4885

“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.