SCHEMBL31756597

SCHEMBL31756597

C[C@]1(C(F)(F)F)CC(=O)C=C(O)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 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
SCHEMBL9001249 0.78 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL31756427 0.77 KMT2A (0.33) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL2241228 0.73 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AHPGDPKM
Trifluoromethanesulfonic Acid SCHEMBL17221076 0.72 MEN1 (0.40) ALDH1A1MEN1KMT2AHPGDPKM
SCHEMBL35211650 0.69 GABRP (0.33)
SCHEMBL24315621 0.67
SCHEMBL5911639 0.67 LMNA (0.47) ALDH1A1MEN1KMT2AHPGDPKM
SCHEMBL18320262 0.67 FFAR3 (0.39) ALDH1A1MEN1KMT2AHPGDPKM
SCHEMBL6220624 0.66 GABRP (0.31)
SCHEMBL31756580 0.66 MAPK1 (0.37) ALDH1A1MEN1KMT2A

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-20260001877-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED (US) 2026-01-01 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-20260001877-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN CNR1, SCN1B, OPRL1 ALDH1A1 1503/4885MEN1 4167/4885KMT2A 3937/4885

“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.