SCHEMBL4947995

SCHEMBL4947995

Cc1cccc2ccc3c4ccccc4cc(O)c3c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.53
FYN P06241 2/20 0.53
ACHE P22303 2/20 0.53
AHR P35869 2/20 0.53
ERBB2 P04626 1/20 0.53
MAOA P21397 1/20 0.53
ALDH1A1 P00352 8/20 0.50
HPGD P15428 5/20 0.50
HSD17B10 Q99714 5/20 0.50
TRPM4 Q8TD43 1/20 0.48
THRB P10828 1/20 0.44
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2A6 P11509 2/20 0.42
MAPT P10636 2/20 0.42
LCK P06239 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL10624516 0.84 CYP1A2 (0.58) CYP1A2FYNACHEAHRERBB2
SCHEMBL18600577 0.80 TRPM4 (0.68) CYP1A2FYNACHEAHRERBB2
SCHEMBL16200914 0.79 TRPM4 (0.55) CYP1A2FYNACHEAHRERBB2
SCHEMBL27760500 0.78 TRPM4 (0.65) CYP1A2FYNACHEAHRERBB2
SCHEMBL25622486 0.78 TRPM4 (0.59) CYP1A2FYNACHEAHRERBB2
SCHEMBL598916 0.78 ALDH1A1 (0.60) CYP1A2FYNACHEAHRERBB2
SCHEMBL4949723 0.76 CYP1A2 (0.49) CYP1A2FYNACHEAHRERBB2
SCHEMBL19915326 0.76 CYP1A2 (0.57) CYP1A2FYNACHEAHRERBB2
SCHEMBL16107767 0.76 TRPM4 (0.61) CYP1A2FYNACHEAHRERBB2
SCHEMBL7996318 0.76 CYP1A2 (0.67) CYP1A2FYNACHEAHRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557565-B2 Degradation of polycyclic aromatic hydrocarbons to render them available for biodegradation WAVREK DAVID (US) 2013-10-15 US disclosed
US-8298814-B1 Degradation of polycyclic aromatic hydrocarbons Wavrek, David A. (US) 2012-10-30 US disclosed
US-20080242875-A1 DEGRADATION OF POLYCYCLIC AROMATIC HYDROCARBONS TO RENDER THEM AVAILABLE FOR BIODEGRADATION HONG P K ANDY 2008-10-02 US disclosed
EP-1230400-B1 DEGRADATION OF POLYCYCLIC AROMATIC HYDROCARBONS UNIV UTAH RES FOUND (US) 2008-09-24 EP disclosed
EP-1230400-A1 DEGRADATION OF POLYCYCLIC AROMATIC HYDROCARBONS University of Utah Research Foundation (US) 2002-08-14 EP disclosed
WO-2001032936-A1 DEGRADATION OF POLYCYCLIC AROMATIC HYDROCARBONS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2001-05-10 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 (1 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-20080242875-A1 DEGRADATION OF POLYCYCLIC AROMATIC HYDROCARBONS TO RENDER THEM AVAILABLE FOR BIODEGRADATION PAH, AHR, TDO2 CYP1A2 91/4885FYN 2324/4885ACHE 2201/4885

“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.