SCHEMBL13403184

SCHEMBL13403184

CC[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 2/20 0.81
▸ PDE4D Q08499 2/20 0.81
▸ NR1I2 O75469 1/20 0.81
▸ HMGCR P04035 5/20 0.77
▸ RXRA P19793 3/20 0.77
▸ PRKAA2 P54646 1/20 0.55
▸ CYP2C9 P11712 3/20 0.43
▸ SIRT6 Q8N6T7 2/20 0.43
▸ TBXA2R P21731 2/20 0.43
▸ ADRA1A P35348 2/20 0.43
▸ ABCC3 O15438 1/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PGR P06401 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ CCKAR P32238 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ SLC10A1 Q14973 1/20 0.43
▸ ESR1 P03372 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ PDE4A P27815 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
SCHEMBL14273651 1.00 NR4A2 (0.81) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL9031227 1.00 NR4A2 (0.81) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL14262699 1.00 NR4A2 (0.81) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL13776435 0.92 NR4A2 (0.81) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL14569976 0.90 NR4A2 (0.87) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL10049193 0.90 NR4A2 (0.87) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL14569977 0.90 NR4A2 (0.87) NR4A2PDE4DNR1I2HMGCRRXRA
SCHEMBL12058587 0.90 NR4A2 (0.80) NR4A2PDE4DNR1I2HMGCRRXRA
Pitavastatin SCHEMBL10049191 0.90 PDE4D (1.00) NR4A2PDE4DNR1I2HMGCRRXRA
Pitavastatin SCHEMBL3369 0.90 PDE4D (1.00) NR4A2PDE4DNR1I2HMGCRRXRA

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-7692018-B2 Process for producing high purity 3,5-dihydroxy-6-heptenoic acid derivative NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-06 — — US disclosed
US-7645747-B2 Improved pharmacokinetic properties, oral bioavailability; side effect reduction GILEAD SCIENCES, INC. (US) 2010-01-12 — — US disclosed
US-20090176987-A1 CRYSTAL FORM OF QUINOLINE COMPOUND AND PROCESS FOR ITS PRODUCTION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-09 — — US disclosed
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES CHEN JAMES M 2009-05-21 — — US disclosed
US-7407965-B2 Phosphonate analogs for treating metabolic diseases GILEAD SCIENCES, INC. (US) 2008-08-05 — — US disclosed
US-7339062-B2 Method for producing a 3,5-dihydroxy-6-heptenoate NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-03-04 — — US disclosed
US-20070112024-A1 Crystal form of quinoline compound and process for its production OHARA ET AL, YOSHIO 2007-05-17 — — 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 (3 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-20070112024-A1 Crystal form of quinoline compound and process for its production VAT1, CACNA1A, VMP1 NR4A2 4167/4885PDE4D 1126/4885NR1I2 3919/4885
US-20090131372-A1 PHOSPHONATE ANALOGS FOR TREATING METABOLIC DISEASES PHOSPHO1, G6PC1, PC NR4A2 1528/4885PDE4D 1571/4885NR1I2 1518/4885
US-20090176987-A1 CRYSTAL FORM OF QUINOLINE COMPOUND AND PROCESS FOR ITS PRODUCTION VAT1, CACNA1A, VMP1 NR4A2 4167/4885PDE4D 1126/4885NR1I2 3919/4885

“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.

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