SCHEMBL9961609

SCHEMBL9961609

Cc1cc2cccc(OP(C)(C)=O)c2o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41
MAOA P21397 1/20 0.41
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 2/20 0.39
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 4/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL31033310 0.83 KMT2A (0.43) LMNARECQLMAOAKMT2AALDH1A1
SCHEMBL73415 0.78 LMNA (0.58) LMNARECQLKMT2AALDH1A1HSD17B10
SCHEMBL8196245 0.76 ALDH1A1 (0.42) LMNARECQLMAOAKMT2AALDH1A1
SCHEMBL266604 0.73 ADORA3 (0.58) LMNAKMT2AALDH1A1HSD17B10NPC1
SCHEMBL26756506 0.72 F2RL3 (0.42) LMNARECQLMAOAKMT2AALDH1A1
SCHEMBL15417664 0.71 F2RL3 (0.47) LMNAALDH1A1CA12CA1CA2
SCHEMBL5395099 0.70 HTR1B (0.50) KMT2AALDH1A1HSD17B10SMN1; SMN2RAB9A
SCHEMBL27462719 0.70 ADORA2A (0.44) LMNARECQLMAOAKMT2AALDH1A1
SCHEMBL4428324 0.69 MAOB (0.58) MAOAALDH1A1CYP2A6ADORA3ADORA2A
SCHEMBL27679760 0.68 HTT (0.50) KMT2AALDH1A1HSD17B10RAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 US disclosed
US-8765722-B2 Inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2014-07-01 US disclosed
US-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-14 US disclosed
US-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. 2013-11-14 US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
US-8501714-B2 Inhibitors of Flaviviridae viruses GILEAD SCIENCES, INC. (US) 2013-08-06 US disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2012-06-21 US disclosed
WO-2011031669-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES, INC. (US) 2011-03-17 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-20130302280-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 LMNA 1554/4885RECQL 1094/4885MAOA 1195/4885
US-20120156166-A1 INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, CYP2F1, CYP4F3 LMNA 1554/4885RECQL 1094/4885MAOA 1195/4885

“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.