SCHEMBL23314535

SCHEMBL23314535

CCOCCC(=O)C(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.48
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
THRB P10828 1/20 0.36
RAB9A P51151 1/20 0.33
POLB P06746 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
SCHEMBL9936848 0.73 ALDH1A1 (0.58) ALDH1A1TSHRTHRB
SCHEMBL25263210 0.72 ALDH1A1 (0.50) ALDH1A1TSHRTHRBPOLB
SCHEMBL810202 0.72
SCHEMBL3623152 0.71
Alcohol SCHEMBL6463080 0.71 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
SCHEMBL22123111 0.71 CES2 (0.47) CES2ALDH1A1TSHRPOLB
SCHEMBL28992167 0.71 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL11129013 0.71 ALDH1A1 (0.36) ALDH1A1TSHRTHRBPOLB
Ether SCHEMBL23000652 0.70 MAPT (0.38) CES2ALDH1A1TSHRTHRB
SCHEMBL101044 0.70

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-4011874-A1 SUBSTITUTED PYRAZOLO PIPERIDINE CARBOXYLIC ACIDS Bayer Aktiengesellschaft (DE) 2022-06-15 EP disclosed
US-10993947-B2 Treatment of skin lesions TORQUR (CH) 2021-05-04 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-10993947-B2 Treatment of skin lesions CXCR3, CCR3, C3AR1 CES2 793/4885ALDH1A1 4115/4885TSHR 364/4885

“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.