SCHEMBL24309282

SCHEMBL24309282

C/C(=C/C(C)C)c1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ F2R P25116 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL29567198 1.00 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL10018240 1.00 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL15086086 0.76 CES2 (0.43) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL8413968 0.76 ALDH1A1 (0.41) ALDH1A1KMT2ATDP1SMN1; SMN2HPGD
SCHEMBL7787413 0.76 ALDH1A1 (0.41) ALDH1A1KMT2ATDP1SMN1; SMN2HPGD
SCHEMBL13663403 0.76 CES2 (0.43) ALDH1A1MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL29290139 0.72 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL5172196 0.71 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9512111 0.71 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL9512116 0.71 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ALDH1A1 3992/4885MEN1 4649/4885KMT2A 4613/4885

“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