SCHEMBL4947049

SCHEMBL4947049

CCC(=O)c1cc2ccc3cccc4ccc(c1C)c2c34

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 4/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP1A2 P05177 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP3A4 P08684 2/20 0.43
TSHR P16473 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 3/20 0.41
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41

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
SCHEMBL8584989 0.82 ALDH1A1 (0.66) HPGDALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL4951448 0.79 ALDH1A1 (0.47) HPGDALDH1A1KMT2AHSD17B10KDM4E
Methylene Chloride SCHEMBL28345680 0.78 ALDH1A1 (0.60) HPGDALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL28342966 0.75 KMT2A (0.42) HPGDALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL18525769 0.75 HSD17B10 (0.44) HPGDALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL14144960 0.72 CYP1A2 (0.47) HPGDALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL28572451 0.72 HPGD (0.53) HPGDALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL2123580 0.71 HPGD (0.73) HPGDALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL9764099 0.71 ALDH1A1 (0.63) HPGDALDH1A1KMT2AHSD17B10KDM4E
SCHEMBL1976674 0.70 ALDH1A1 (0.49) HPGDALDH1A1KMT2AHSD17B10KDM4E

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 HPGD 1167/4885ALDH1A1 3754/4885KMT2A 4179/4885

“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.