SCHEMBL26813286

SCHEMBL26813286

Cc1ccccc1Oc1cc(C(C)C)cc2c1CCc1ccccc1-2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ FFAR4 Q5NUL3 1/20 0.32
▸ AR P10275 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL26813159 0.70 LMNA (0.39) BCHEACHEMEN1KMT2ASMN1; SMN2
Isopropylbenzene SCHEMBL15519354 0.69 SCN4A (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL24287240 0.66 MAPT (0.42) BCHEACHEMEN1KMT2ASMN1; SMN2
SCHEMBL27308320 0.65 LMNA (0.44) ACHEMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3926186 0.65 LMNA (0.56) BCHEACHESMN1; SMN2HTTLMNA
SCHEMBL24287411 0.64 HRH4 (0.51) BCHEACHEMEN1KMT2ASMN1; SMN2
SCHEMBL29637724 0.64 TSHR (0.65) ACHEMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL127000 0.64 TSHR (0.65) ACHEMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL11782821 0.63 HPGD (0.37) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL13995152 0.63 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — 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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B BCHE 4419/4885ACHE 4824/4885MEN1 4707/4885

“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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