SCHEMBL2054466

SCHEMBL2054466

CCc1cc(C(C)=O)ccc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
POLB P06746 2/20 0.50
HSD17B1 P14061 1/20 0.49
HTT P42858 1/20 0.47
CYP2A6 P11509 1/20 0.46
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MAOB P27338 1/20 0.45
TSHR P16473 1/20 0.44
CREBBP Q92793 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HIF1A Q16665 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 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
SCHEMBL10304743 0.85 HSD17B1 (0.70) PKMHSD17B1KMT2AMAOBSMN1; SMN2
SCHEMBL13078372 0.84 PKM (0.50) PKMPOLBHSD17B1HTTCYP2A6
SCHEMBL15672467 0.84 PKM (0.50) PKMPOLBHTTCYP2A6ALDH1A1
SCHEMBL29827702 0.83 PKM (0.46) PKMPOLBHSD17B1HTTCYP2A6
SCHEMBL3258577 0.83 ALDH1A1 (0.52) POLBALDH1A1KMT2AMEN1TSHR
SCHEMBL11811640 0.83 HSD17B1 (0.53) PKMPOLBHSD17B1HTTCYP2A6
SCHEMBL3279437 0.83 PKM (0.57) PKMPOLBHSD17B1HTTCYP2A6
SCHEMBL23965578 0.82 PRSS1 (0.39) PKMPOLBHSD17B1HTTALDH1A1
SCHEMBL14808371 0.82 MRGPRX4 (0.40) PKMHSD17B1HTTALDH1A1SMN1; SMN2
SCHEMBL11419017 0.82 PARP1 (0.47) ALDH1A1KMT2ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD PHARMASSET LLC 2018-06-28 US disclosed
US-9890134-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2018-02-13 US disclosed
US-20170283390-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2017-10-05 US disclosed
EP-2734517-B1 BENZAMIDES MERCK PATENT GMBH (DE) 2017-08-30 EP disclosed
US-9670187-B2 Processes for preparing antiviral compounds GILEAD PHARMASSET LLC (US) 2017-06-06 US disclosed
WO-2016092375-A1 SUBSTITUTED HETEROCYCLES AS BROMODOMAIN INHIBITORS ZENITH EPIGENETICS CORP. (CA) 2016-06-16 WO disclosed
US-20150361073-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2015-12-17 US disclosed
EP-2182002-B1 Novel compounds for electronic material and organic electronic device using the same GRACEL DISPLAY INC (KR) 2012-07-04 EP disclosed
US-8163758-B2 Phenyl substituted pyrazinoylguanidine sodium channel blockers possessing beta agonist activity PARION SCIENCES, INC. (US) 2012-04-24 US disclosed
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY PARION SCIENCES, INC. (US) 2011-01-13 US disclosed
EP-2182002-A1 Novel compounds for electronic material and organic electronic device using the same Gracel Display Inc. (KR) 2010-05-05 EP disclosed
EP-2066150-A1 Novel red electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-06-03 EP disclosed
EP-2062959-A2 Novel red electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-05-27 EP disclosed
EP-2055709-A2 Novel red electroluminescent compounds and organic electroluminescent device using the same Gracel Display Inc. (KR) 2009-05-06 EP 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 (4 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-20170283390-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 PKM 1272/4885POLB 47/4885HSD17B1 3237/4885
US-20110008268-A1 PHENYL SUBSTITUTED PYRAZINOYLGUANIDINE SODIUM CHANNEL BLOCKERS POSSESSING BETA AGONIST ACTIVITY CACNA1C, CACNA1B, CACNA1G PKM 3435/4885POLB 2990/4885HSD17B1 2809/4885
US-20150361073-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 PKM 1272/4885POLB 47/4885HSD17B1 3237/4885
US-20180179175-A1 PROCESSES FOR PREPARING ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, SAMHD1 PKM 1272/4885POLB 47/4885HSD17B1 3237/4885

“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.