SCHEMBL6327487

SCHEMBL6327487

Cc1ccc2c(c1)OCC2C

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.42
CYP19A1 P11511 3/20 0.41
TERT O14746 1/20 0.41
ALDH1A1 P00352 1/20 0.37
ALDH2 P05091 1/20 0.37
CA2 P00918 1/20 0.37
HCRTR2 O43614 1/20 0.36
FFAR1 O14842 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
ALOX15B O15296 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR2C P28335 2/20 0.35

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
SCHEMBL30456628 1.00 TOP2A (0.42) TOP2ACYP19A1TERTALDH1A1ALDH2
SCHEMBL21933120 1.00 TOP2A (0.42) TOP2ACYP19A1TERTALDH1A1ALDH2
SCHEMBL7920992 0.84 HCRTR2 (0.45) TOP2ACYP19A1ALDH1A1CA2HCRTR2
SCHEMBL21933121 0.81 ADRA2A (0.41) CYP19A1TERTALDH1A1ALDH2CHRNB2
SCHEMBL13630579 0.81 ADRA2A (0.41) CYP19A1TERTALDH1A1ALDH2CHRNB2
SCHEMBL13616553 0.81 ADRA2A (0.41) CYP19A1TERTALDH1A1ALDH2CHRNB2
SCHEMBL5536383 0.78 MAP3K14 (0.42) CYP19A1TERTALDH1A1ALDH2CA2
SCHEMBL22867760 0.78 CYP19A1 (0.41) CYP19A1TERTALDH1A1ALDH2CA2
SCHEMBL5536375 0.78 CYP19A1 (0.47) CYP19A1TERTALDH1A1ALDH2CA2
SCHEMBL10159264 0.78 MAP3K14 (0.50) TOP2ACYP19A1HCRTR2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050025795-A1 Compounds, Compositions and methods for insect control THE PROCTER & GAMBLE COMPANY (US) 2005-02-03 US claimed
EP-1397042-A1 COMPOSITIONS AND METHODS FOR INSECT CONTROL THE PROCTER & GAMBLE COMPANY (US) 2004-03-17 EP claimed
WO-2002067680-A1 COMPOSITIONS AND METHODS FOR INSECT CONTROL THE PROCTER & GAMBLE COMPANY (US) 2002-09-06 WO claimed
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 US disclosed
US-20230348363-A1 COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2023-11-02 US disclosed
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS VANDERBILT UNIVERSITY 2023-09-28 US disclosed
US-9409865-B2 Modulators of methyl modifying enzymes, compositions and uses thereof Constellation_Pharmaceuticals, Inc. (US) 2016-08-09 US disclosed
US-9403830-B2 Inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-08-02 US disclosed
US-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2015-11-05 US disclosed
US-9051269-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-06-09 US disclosed
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2014-10-23 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-8501804-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-06 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
US-20120010247-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-01-12 US disclosed
EP-2351743-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-08-03 EP disclosed
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed
US-20050025795-A1 Compounds, Compositions and methods for insect control THE PROCTER & GAMBLE COMPANY (US) 2005-02-03 US disclosed
EP-1397042-A1 COMPOSITIONS AND METHODS FOR INSECT CONTROL THE PROCTER & GAMBLE COMPANY (US) 2004-03-17 EP disclosed
WO-2002067680-A1 COMPOSITIONS AND METHODS FOR INSECT CONTROL THE PROCTER & GAMBLE COMPANY (US) 2002-09-06 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 (6 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-20120010247-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB TOP2A 3665/4885CYP19A1 224/4885TERT 434/4885
US-20150315148-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 TOP2A 556/4885CYP19A1 1128/4885TERT 1631/4885
US-20050025795-A1 Compounds, Compositions and methods for insect control PWWP2B, CUTA, WAPL TOP2A 480/4885CYP19A1 581/4885TERT 1625/4885
US-20230348363-A1 COMPOUNDS AND THEIR USE RXFP1, RXFP3, RXFP2 TOP2A 4530/4885CYP19A1 2872/4885TERT 4683/4885
US-20230303552-A1 ARYLSULFONYL DERIVATIVES AND THEIR USE AS MUSCARINIC ACETYLCHOLINE RECEPTOR M5 INHIBITORS CHRM5, CHRM1, CHRM2 TOP2A 4098/4885CYP19A1 2897/4885TERT 2810/4885
US-20140315949-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 TOP2A 556/4885CYP19A1 1128/4885TERT 1631/4885

“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.