SCHEMBL21452962

SCHEMBL21452962

CCCC(C)c1ncc(C(=O)O)cc1F

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 9/20 0.38
▸ HCAR2 Q8TDS4 3/20 0.37
▸ MAPT P10636 1/20 0.36
▸ GCK P35557 1/20 0.35
▸ VNN1 O95497 1/20 0.35
▸ PLA2G2A P14555 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL19698928 0.81 HCAR2 (0.43) HCAR3HCAR2GCKVNN1MAPK1
SCHEMBL24445684 0.78 HCAR2 (0.41) HCAR3HCAR2GCKVNN1MAPK1
SCHEMBL19705749 0.77 GPBAR1 (0.38) —
SCHEMBL22639598 0.75 — —
SCHEMBL22363321 0.74 TAAR1 (0.35) MAPTMAPK1CYP2C9CYP2C19
SCHEMBL28531102 0.72 HCAR3 (0.41) HCAR3HCAR2MAPTVNN1MAPK1
SCHEMBL21783356 0.71 ATM (0.40) MAPT
SCHEMBL3374192 0.71 RAB9A (0.44) HCAR3HCAR2MAPTVNN1MAPK1
SCHEMBL19374835 0.70 LMNA (0.41) MAPTMAPK1
SCHEMBL14928310 0.70 KMT2A (0.45) HCAR3HCAR2MAPTVNN1PLA2G2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190308962-A1 FXR (NR1H4) Modulating Compounds GILEAD SCIENCES, INC. (US) 2019-10-10 — — 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-20190308962-A1 FXR (NR1H4) Modulating Compounds NR1H4, NR1H2, NR1H3 HCAR3 205/4885HCAR2 152/4885MAPT 3650/4885

“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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