SCHEMBL26847035

SCHEMBL26847035

Cc1cc(C(C)(C)C)ccc1-c1cc(=O)c2cc(F)ccc2[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.60
▸ HPGD P15428 7/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ THRB P10828 2/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ KEAP1 Q14145 1/20 0.54
▸ NFE2L2 Q16236 1/20 0.54
▸ KDM4E B2RXH2 6/20 0.52
▸ LMNA P02545 5/20 0.52
▸ MAPT P10636 1/20 0.47
▸ GHSR Q92847 2/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ CTSV O60911 1/20 0.41
▸ CTSL P07711 1/20 0.41
▸ ABL1 P00519 1/20 0.41

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
SCHEMBL26847075 0.90 MEN1 (0.56) ALDH1A1HPGDMEN1KMT2ATHRB
SCHEMBL26847164 0.89 ALDH1A1 (0.56) ALDH1A1HPGDMEN1KMT2ATHRB
SCHEMBL26725355 0.89 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2ATHRB
SCHEMBL26724797 0.87 KDM4E (0.55) ALDH1A1HPGDMEN1KMT2ATHRB
SCHEMBL26724787 0.87 HPGD (0.59) ALDH1A1HPGDMEN1KMT2ATHRB
SCHEMBL26724148 0.86 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2ATHRB
SCHEMBL26847275 0.86 ALDH1A1 (0.48) ALDH1A1HPGDMEN1KMT2ATHRB
SCHEMBL26847081 0.85 ALDH1A1 (0.55) ALDH1A1HPGDMEN1KMT2ATHRB
SCHEMBL26606931 0.85 HPGD (0.54) ALDH1A1HPGDMEN1KMT2ATHRB
SCHEMBL26846921 0.83 CTSV (0.54) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2

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-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — US disclosed
US-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN VERTEX PHARMACEUTICALS INCORPORATED 2023-11-30 — — 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-20230382910-A1 HETEROARYL COMPOUNDS FOR THE TREATMENT OF PAIN TRPV1, SCN3A, KCNN3 ALDH1A1 1762/4885HPGD 546/4885MEN1 3962/4885

“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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