SCHEMBL18823613

SCHEMBL18823613

CCCCCCC(CC)c1ccc(C(=O)O)cn1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 8/20 0.50
▸ RARB P10826 4/20 0.46
▸ HCAR2 Q8TDS4 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PLA2G4B P0C869 2/20 0.44
▸ MAPT P10636 1/20 0.43

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
SCHEMBL10095114 0.85 HCAR3 (0.55) HCAR3HCAR2MAPT
SCHEMBL9960384 0.80 HCAR3 (0.52) HCAR3RARBHCAR2TP53TSHR
SCHEMBL9960380 0.78 HCAR3 (0.47) HCAR3HCAR2MAPT
SCHEMBL26673673 0.78 NR1I2 (0.40) MAPT
SCHEMBL20989341 0.77 TSHR (0.43) TSHRMAPT
SCHEMBL18595311 0.77 RAB9A (0.43) —
SCHEMBL19103030 0.74 ESR1 (0.42) TSHRMAPT
SCHEMBL10954997 0.74 TP53 (0.54) RARBTP53TSHRPLA2G4BMAPT
SCHEMBL10955282 0.74 TP53 (0.54) RARBTP53TSHRPLA2G4BMAPT
SCHEMBL10957990 0.74 TP53 (0.54) RARBTP53TSHRPLA2G4BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9999687-B2 Fluorescent imaging agents VISEN MEDICAL, INC. (US) 2018-06-19 — — US disclosed
US-20170119908-A1 Fluorescent Imaging Agents VISEN MEDICAL, INC. 2017-05-04 — — 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-20170119908-A1 Fluorescent Imaging Agents DNPEP, FURIN, MME HCAR3 913/4885RARB 3859/4885HCAR2 1922/4885

“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.

Send feedback