SCHEMBL4869474

SCHEMBL4869474

Cc1cc(I)cc2c1oc(=O)n2C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 2/20 0.32
ATAD2 Q6PL18 1/20 0.31
TSHR P16473 1/20 0.31
CTSC P53634 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL19362764 0.81 PKM (0.39) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL16362080 0.79 HSD17B10 (0.35) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL30445159 0.79 HSD17B10 (0.35) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL30538040 0.79 AHR (0.37) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL16932343 0.79 AHR (0.37) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL19360279 0.76 PPARG (0.39) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL20172646 0.73 CTSC (0.41) PKMKMT2AALDH1A1TSHRCTSC
SCHEMBL10187968 0.71 ACACB (0.39) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL14867215 0.70 ASAH1 (0.42) PKMKMT2AMEN1ALDH1A1HPGD
SCHEMBL19592149 0.69 CTSC (0.45) PKMALDH1A1POLBTSHRCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267667-A1 ALKENYLDIARYLMETHANES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR ANTI-HIV-1 CHEMOTHERAPY PURDUE RESEARCH FOUNDATION (US) 2017-09-21 US disclosed
US-20170267667-A1 ALKENYLDIARYLMETHANES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR ANTI-HIV-1 CHEMOTHERAPY PURDUE RESEARCH FOUNDATION (US) 2017-09-21 US disclosed
US-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof PURDUE RESEARCH FOUNDATION (US) 2008-12-04 US disclosed
US-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof PURDUE RESEARCH FOUNDATION (US) 2008-12-04 US disclosed
US-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof PURDUE RESEARCH FOUNDATION (US) 2008-12-04 US disclosed
WO-2008119028-A1 ALKENYLDIARYLMETHANES HAVING NITROGEN-CONTAINING CARBOXYLIC ACID DERIVATIVES CUSHMAN MARK S (US) 2008-10-02 WO disclosed
WO-2007005531-A2 ALKENYLDIARYLMETHANES, FUSED ANALOGS AND SYNTHESES THEREOF PURDUE RESEARCH FOUNDATION (US) 2007-01-11 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 (2 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-20080300288-A1 Alkenyldiarylmethanes, Fused Analogs And Syntheses Thereof POLRMT, PNP, TYMS PKM 755/4885KMT2A 1410/4885MEN1 4353/4885
US-20170267667-A1 ALKENYLDIARYLMETHANES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR ANTI-HIV-1 CHEMOTHERAPY TYMP, SAMHD1, TYMS PKM 3683/4885KMT2A 1153/4885MEN1 4154/4885

“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.