SCHEMBL4944634

SCHEMBL4944634

O=Cc1cccc2ccc3cccc(C=O)c3c12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
BLM P54132 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 6/20 0.50
TSHR P16473 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP1A1 P04798 1/20 0.50
CYP1B1 Q16678 1/20 0.50
CYP2A6 P11509 1/20 0.48
ERN1 O75460 4/20 0.44
TRIM24 O15164 2/20 0.42
TRIM33 Q9UPN9 2/20 0.42
CES2 O00748 1/20 0.39
BCHE P06276 1/20 0.39

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
SCHEMBL981676 0.92 LMNA (0.55) THRBMEN1KMT2ALMNABLM
Pyrene SCHEMBL18343705 0.87 KMT2A (0.65) THRBMEN1KMT2ALMNABLM
SCHEMBL10549144 0.84 POLB (0.51) THRBMEN1KMT2ALMNABLM
SCHEMBL17422072 0.83 ALDH1A1 (0.46) THRBMEN1KMT2ALMNABLM
SCHEMBL29953603 0.82 HSD17B10 (0.56) MEN1KMT2ALMNATDP1ALDH1A1
SCHEMBL5276864 0.81 MEN1 (0.48) THRBMEN1KMT2ALMNABLM
SCHEMBL3832835 0.81 ALDH1A1 (0.58) THRBMEN1KMT2ALMNABLM
SCHEMBL11932607 0.81 MEN1 (0.44) THRBMEN1KMT2ALMNABLM
SCHEMBL20974586 0.81 CYP2A6 (0.52) THRBMEN1KMT2ALMNABLM
SCHEMBL9099949 0.81 ERN1 (0.59) THRBMEN1KMT2ALMNABLM

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 8 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-7745819-B2 Pyrene derivatives and organic electronic device using pyrene derivatives LG CHEM. LTD. (KR) 2010-06-29 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
US-4017313-A Photosensitive composition containing a leuco dye, a photosensitizer, an aromatic aldehyde and a secondary or tertiary amine and the use thereof in a direct-print process E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-04-12 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 (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 THRB 2054/4885MEN1 2632/4885KMT2A 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.