SCHEMBL689069

SCHEMBL689069

CC(C)(C)c1cc(C=C(O)C(=O)O)cc(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.46
RXRA P19793 10/20 0.42
RXRB P28702 9/20 0.42
RXRG P48443 6/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
RARA P10276 2/20 0.37
RARB P10826 2/20 0.37
RARG P13631 2/20 0.37
CYP1A2 P05177 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
Ethylene SCHEMBL30620437 0.96 HMGCR (0.44) HMGCRRXRARXRBRXRGTP53
SCHEMBL6669640 0.80 CYP1A2 (0.53) MAPTSMN1; SMN2RARBRARGCYP1A2
SCHEMBL6669641 0.80 CYP1A2 (0.53) MAPTSMN1; SMN2RARBRARGCYP1A2
SCHEMBL6669638 0.80 CYP1A2 (0.53) MAPTSMN1; SMN2RARBRARGCYP1A2
SCHEMBL6285732 0.78 HMGCR (0.49) HMGCRRXRARXRBRXRGTP53
SCHEMBL6937644 0.77 GABBR2 (0.60) HMGCRTP53CYP3A4MAPTALOX15
SCHEMBL9487398 0.77 RPS6KA3 (0.53) CYP3A4
SCHEMBL6670817 0.72 TPMT (0.44) RXRARXRBMAPTSMN1; SMN2
SCHEMBL6670809 0.72 TPMT (0.44) RXRARXRBMAPTSMN1; SMN2
SCHEMBL6670819 0.72 TPMT (0.44) RXRARXRBMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180095042-A1 Method For Detecting Treated Wood UNIVERSITY OF SOUTH CAROLINA 2018-04-05 US disclosed
EP-2245123-B1 METHODS FOR PRODUCING ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS CHEMTURA CORP (US) 2017-07-19 EP disclosed
US-9402860-B2 Methods of inhibiting the growth of onychomycosis and urushiol-induced allergic contact dermatitis CHESSON LABORATORY ASSOCIATES, INC. (US) 2016-08-02 US disclosed
EP-1962866-B1 Poly(urea-urethane) compositions useful as topical medicaments and methods of using the same ROOF MATRIX INC (US) 2015-03-18 EP disclosed
US-8563489-B2 Alkylated 1,3-benzenediamine compounds and methods for producing same CHEMTURA CORPORATION (US) 2013-10-22 US disclosed
EP-1542842-B1 NON-TOXIC HYDROPHOBIC ELASTOMERIC POLYMER CHEMISTRY SYSTEM FOR WOOD PRESERVATION ROOF MATRIX INC (US) 2012-02-29 EP disclosed
EP-2245123-A2 ALKYLATED 1,3 BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME Chemtura Corporation (US) 2010-11-03 EP disclosed
EP-2240559-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS Chemtura Corporation (US) 2010-10-20 EP disclosed
US-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME LANXESS SOLUTIONS US INC. 2009-06-18 US disclosed
WO-2009076090-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS CHEMTURA CORPORATION (US) 2009-06-18 WO disclosed
US-20080253984-A1 METHODS OF INHIBITING THE GROWTH OF ONYCHOMYCOSIS AND URUSHIOL-INDUCED ALLERGIC CONTACT DERMATITIS NAIL GENESIS LLC 2008-10-16 US disclosed
EP-1962866-A2 HYDROPHOBIC ELASTOMERIC POLYMER CHEMISTRY DEVICE FOR INHIBITING THE GROWTH OF ONYCHOMYCOSIS AND URUSHIOL-INDUCED ALLERGIC CONTACT DERMATITIS Roof Matrix, Inc. (US) 2008-09-03 EP disclosed
US-20070227399-A1 COMPOSITIONS AND METHODS FOR THE PRESERVATION OF WOOD NOVUS INTERNATIONAL INC. (US) 2007-10-04 US disclosed
WO-2007062381-A2 HYDROPHOBIC ELASTOMERIC POLYMER CHEMISTRY DEVICE FOR INHIBITING THE GROWTH OF ONYCHOMYCOSIS AND URUSHIOL-INDUCED ALLERGIC CONTACT DERMATITIS ROOF MATRIX, INC. (US) 2007-05-31 WO disclosed
US-20060216267-A1 Hydrophobic elastomeric polymer chemistry device for inhibiting the growth of onychomycosis and urushiol-induced allergic contact dermatitis ROOF MATRIX, INC. 2006-09-28 US disclosed
US-7008997-B2 Non-toxic hydrophobic elastomeric polymer chemistry system for wood preservation ROOF MATRIX, INC. (US) 2006-03-07 US disclosed
EP-1542842-A1 NON-TOXIC HYDROPHOBIC ELASTOMERIC POLYMER CHEMISTRY SYSTEM FOR WOOD PRESERVATION Roof Matrix, Inc. (US) 2005-06-22 EP disclosed
US-20040147649-A1 Non-toxic hydrophobic elastomeric polymer chemistry system for wood preservation EPI HEALTH, LLC 2004-07-29 US disclosed
WO-2004018171-A1 NON-TOXIC HYDROPHOBIC ELASTOMERIC POLYMER CHEMISTRY SYSTEM FOR WOOD PRESERVATION ROOF MATRIX, INC. (US) 2004-03-04 WO disclosed
WO-2000069943-A1 POLYUREA COMPOSITION K & L TECHNOLOGIES, INC. (US) 2000-11-23 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 (3 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-20060216267-A1 Hydrophobic elastomeric polymer chemistry device for inhibiting the growth of onychomycosis and urushiol-induced allergic contact dermatitis DPM1, POLR1C, ITCH HMGCR 4213/4885RXRA 4209/4885RXRB 4342/4885
US-20090156449-A1 ALKYLATED 1,3-BENZENEDIAMINE COMPOUNDS AND METHODS FOR PRODUCING SAME BBOX1, ABHD5, BRD1 HMGCR 1439/4885RXRA 1739/4885RXRB 2488/4885
US-20080253984-A1 METHODS OF INHIBITING THE GROWTH OF ONYCHOMYCOSIS AND URUSHIOL-INDUCED ALLERGIC CONTACT DERMATITIS DPM1, AOC1, POLR1C HMGCR 3425/4885RXRA 3946/4885RXRB 4052/4885

“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.