SCHEMBL792181

SCHEMBL792181

COC(c1ccc(C(=O)O)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
TSHR P16473 2/20 0.52
TP53 P04637 1/20 0.52
RARA P10276 1/20 0.49
RARB P10826 1/20 0.49
RARG P13631 1/20 0.49
SRD5A2 P31213 4/20 0.49
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MLKL Q8NB16 2/20 0.48
ANPEP P15144 1/20 0.46
RXRA P19793 2/20 0.45
RXRB P28702 1/20 0.45
CA12 O43570 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL14967091 0.94 SRD5A2 (0.57) CA1CA2TSHRTP53RARA
SCHEMBL792153 0.91 BCL2L1 (0.55) CA1CA2TSHRTP53RARA
SCHEMBL3876089 0.83 CA1 (0.54) CA1CA2TSHRTP53SRD5A2
Bromide SCHEMBL10487161 0.81 CA1 (0.52) CA1CA2TSHRTP53SRD5A2
SCHEMBL6467238 0.81 CA1 (0.52) CA1CA2TSHRTP53SRD5A2
Terephthalic Acid SCHEMBL11164993 0.78 TSHR (0.75) CA1CA2TSHRTP53SRD5A2
SCHEMBL3037247 0.78 CA1 (0.48) CA1CA2TSHRTP53SRD5A2
SCHEMBL791848 0.78 ALDH1A1 (0.55) RARARARBRARGALDH1A1SMN1; SMN2
SCHEMBL6715937 0.78 RXRA (0.53) CA1CA2TSHRTP53RXRA
SCHEMBL10519895 0.76 AKR1C2 (0.57) CA1CA2TSHRTP53RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 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 (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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 CA1 3203/4885CA2 2701/4885TSHR 4089/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI CA1 4483/4885CA2 3841/4885TSHR 4648/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI CA1 4483/4885CA2 3841/4885TSHR 4648/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CA1 3203/4885CA2 2701/4885TSHR 4089/4885

“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.