SCHEMBL3673538

SCHEMBL3673538

CC1=C(C(C)(C)CC(=O)O)C(=O)C=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.36
HIF1A Q16665 2/20 0.36
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.31
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL10298961 0.80 CYP2C19 (0.35) CYP2C19HIF1AHMGCRCHRM1TBXA2R
SCHEMBL10298937 0.79 CYP2C19 (0.34) CYP2C19HIF1AHMGCRCHRM1TBXA2R
SCHEMBL7023519 0.77 CYP2C19 (0.33) CYP2C19HIF1AHMGCRCHRM1TBXA2R
SCHEMBL10298936 0.77 CYP2C19 (0.33) CYP2C19HIF1AHMGCRCHRM1TBXA2R
SCHEMBL7020215 0.77 CYP2C19 (0.33) CYP2C19HIF1AHMGCRCHRM1TBXA2R
SCHEMBL13937723 0.76 HMGCR (0.41) CYP2C19HIF1AHMGCRCHRM1TBXA2R
SCHEMBL7024357 0.73 HMGCR (0.38) CYP2C19HIF1AHMGCRCHRM1TBXA2R
SCHEMBL16884889 0.72
SCHEMBL7026051 0.70 CYP2C19 (0.36) CYP2C19HIF1AHMGCRCHRM1TBXA2R
SCHEMBL7022374 0.70 MALT1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120171229-A1 SYNTHETIC NANOCARRIERS WITH REACTIVE GROUPS THAT RELEASE BIOLOGICALLY ACTIVE AGENTS SELECTA BIOSCIENCES, INC. (US) 2012-07-05 US disclosed
US-20120171229-A1 SYNTHETIC NANOCARRIERS WITH REACTIVE GROUPS THAT RELEASE BIOLOGICALLY ACTIVE AGENTS SELECTA BIOSCIENCES, INC. (US) 2012-07-05 US disclosed
US-7807402-B2 Reagent for fluorimetric determination of analytes ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2010-10-05 US disclosed
US-20080305469-A1 Fluorimetric Determination of Analytes By An Intramolecular Quencher-Fluorophore Conjugate ROCHE DIAGNOSTICS GMBH (DE) 2008-12-11 US disclosed
US-7378255-B2 Fluorimetric determination of analytes by an intramolecular quencher-fluorophore conjugate ROCHE DIAGNOSTICS OPERATIONS, INC. (US) 2008-05-27 US disclosed
US-20040234945-A1 Fluorimetric determination of analytes by an intramolecular quencher-fluorophore conjugate ROCHE DIAGNOSTICS GMBH (DE) 2004-11-25 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 (1 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-20120171229-A1 SYNTHETIC NANOCARRIERS WITH REACTIVE GROUPS THAT RELEASE BIOLOGICALLY ACTIVE AGENTS HAVCR2, IFNG, MAVS CYP2C19 4155/4885HIF1A 1861/4885HMGCR 1299/4885

“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.