SCHEMBL22193306

SCHEMBL22193306

CCCC(C)c1ccc(F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.37
▸ CES1 P23141 1/20 0.37
▸ F2RL1 P55085 3/20 0.34
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ EPHX2 P34913 1/20 0.30
▸ PDE2A O00408 1/20 0.30
▸ GAA P10253 1/20 0.30

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
SCHEMBL19629265 0.83 TSHR (0.42) CES2CES1F2RL1PDE2A
SCHEMBL18891691 0.82 CES2 (0.39) CES2CES1ALDH1A1HPGD
SCHEMBL24222540 0.78 CFD (0.38) CES2CES1F2RL1
SCHEMBL28793509 0.78 CES2 (0.41) CES2CES1
SCHEMBL12891864 0.78 CES2 (0.42) CES2CES1F2RL1PDE2A
SCHEMBL23101943 0.78 GAA (0.33) ALDH1A1HPGDEPHX2GAA
SCHEMBL22304548 0.77 GCGR (0.33) —
Hydrochloric Acid SCHEMBL3747297 0.76 TAAR1 (0.38) CES2CES1PDE2A
SCHEMBL19987464 0.76 LMNA (0.39) PDE2A
SCHEMBL19098547 0.74 MC4R (0.39) CES2CES1F2RL1ALDH1A1HPGD

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
EP-3896521-B1 POLYMER, PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING METHOD, METHOD OF FORMING CURED FILM, INTERLAYER INSULATING FILM, SURFACE PROTECTIVE FILM, AND ELECTRONIC COMPONENT SHINETSU CHEMICAL CO (JP) 2022-12-14 — — EP disclosed
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-07-09 — — 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-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R CES2 2446/4885CES1 3523/4885F2RL1 349/4885

“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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