SCHEMBL3464547

SCHEMBL3464547

Oc1ccccc1/C=C\c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 1.00
NFKB1 P19838 2/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57
ABL1 P00519 1/20 0.56
ABCB1 P08183 1/20 0.56
BCR P11274 1/20 0.56
NFE2L2 Q16236 4/20 0.56
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
JUN P05412 1/20 0.54
LMNA P02545 1/20 0.50
MAPT P10636 1/20 0.50
TRIM24 O15164 1/20 0.50
TRIM33 Q9UPN9 1/20 0.50
APP P05067 1/20 0.49
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL27992 1.00 TRPA1 (1.00) TRPA1NFKB1CA1CA2CA4
SCHEMBL27991 1.00 TRPA1 (1.00) TRPA1NFKB1CA1CA2CA4
SCHEMBL30218372 1.00 TRPA1 (1.00) TRPA1NFKB1CA1CA2CA4
Potassium SCHEMBL9419818 0.98 TRPA1 (0.95) TRPA1NFKB1CA1CA2CA4
SCHEMBL9419834 0.98 TRPA1 (0.95) TRPA1NFKB1CA1CA2CA4
SCHEMBL9419828 0.98 TRPA1 (0.95) TRPA1NFKB1CA1CA2CA4
SCHEMBL9419830 0.98 TRPA1 (0.95) TRPA1NFKB1CA1CA2CA4
SCHEMBL9419814 0.98 TRPA1 (0.95) TRPA1NFKB1CA1CA2CA4
SCHEMBL9419815 0.98 TRPA1 (0.95) TRPA1NFKB1CA1CA2CA4
Formaldehyde SCHEMBL20525513 0.94 TRPA1 (0.88) TRPA1NFKB1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010049390-A1 COSMETIC AND DERMATOLOGICAL COMPOSITIONS FOR THE REDUCTION OF FACIAL EXPRESSION WRINKLES HENKEL AG & CO. KGAA (DE) 2010-05-06 WO claimed
EP-2238968-B1 Skin treatment fighting skin aging HENKEL AG & CO KGAA (DE) 2018-05-02 EP disclosed
WO-2010049390-A1 COSMETIC AND DERMATOLOGICAL COMPOSITIONS FOR THE REDUCTION OF FACIAL EXPRESSION WRINKLES HENKEL AG & CO. KGAA (DE) 2010-05-06 WO disclosed
US-7507851-B2 Halocombstatins and methods of synthesis thereof ARIZONA BOARD OF REGENTS, A STATE CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2009-03-24 US disclosed
US-20080119649-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY 2008-05-22 US disclosed
US-20070167412-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF ARIZONA BOARD OF REGENTS (US) 2007-07-19 US disclosed
EP-1802560-A2 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF Arizona Board Regents, a body corporate of the State of Arizona, acting for and on behalf of Arizona State University (US) 2007-07-04 EP disclosed
US-7223747-B2 Halocombstatins and methods of synthesis thereof ARIZONA BOARD OF REGENTS ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2007-05-29 US disclosed
WO-2006036743-A2 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2006-04-06 WO disclosed
US-20050176688-A1 Halocombstatins and methods of synthesis thereof ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA 2005-08-11 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 (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-20080119649-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF TUBB3, TUBB8B, TUBB8 TRPA1 4108/4885NFKB1 4001/4885CA1 1904/4885
US-20070167412-A1 HALOCOMBSTATINS AND METHODS OF SYNTHESIS THEREOF TUBB3, TUBB8B, TUBB8 TRPA1 4108/4885NFKB1 4001/4885CA1 1904/4885
US-20050176688-A1 Halocombstatins and methods of synthesis thereof TUBB3, TUBB8B, TUBB8 TRPA1 4108/4885NFKB1 4001/4885CA1 1904/4885

“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.