SCHEMBL26628392

SCHEMBL26628392

COc1ccc(C(=O)C(=O)Nc2ccccc2)c(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ HPGD P15428 3/20 0.58
▸ LMNA P02545 3/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ PGR P06401 2/20 0.58
▸ SLC6A2 P23975 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ CYP2D6 P10635 1/20 0.58
▸ PDE4A P27815 1/20 0.58
▸ HRH1 P35367 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ PDE4D Q08499 1/20 0.58
▸ CYP3A4 P08684 2/20 0.56
▸ ADORA3 P0DMS8 1/20 0.56
▸ AR P10275 1/20 0.56
▸ CHRM1 P11229 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ TBXA2R P21731 1/20 0.56

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
SCHEMBL14638474 0.77 NPC1 (0.68) ALDH1A1HPGDLMNACYP1A2PGR
SCHEMBL14554206 0.77 RAB9A (0.66) ALDH1A1LMNANPC1RAB9AKMT2A
Oxybenzone SCHEMBL11414020 0.76 HPGD (0.97) ALDH1A1HPGDLMNACYP1A2PGR
SCHEMBL6763008 0.75 CXCR2 (0.67) ALDH1A1HPGDHTTNPC1RAB9A
SCHEMBL12641906 0.75 NPC1 (0.78) MAPK1NPC1RAB9AKMT2AMEN1
SCHEMBL2743116 0.75 NPC1 (0.78) MAPK1NPC1RAB9AKMT2AMEN1
4-Methoxysalicylic Acid SCHEMBL483346 0.74 NPC1 (0.75) ALDH1A1HPGDLMNACYP1A2PGR
Oxybenzone SCHEMBL5161586 0.74 HPGD (1.00) ALDH1A1HPGDLMNACYP1A2PGR
Oxybenzone SCHEMBL15551 0.74 HPGD (1.00) ALDH1A1HPGDLMNACYP1A2PGR
Oxybenzone SCHEMBL29355332 0.74 HPGD (1.00) ALDH1A1HPGDLMNACYP1A2PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230338340-A1 Methods of Treating Cystic Fibrosis DARTMOUTH COLLEGE (US) 2023-10-26 — — US claimed
WO-2022094079-A1 METHODS OF TREATING CYSTIC FIBROSIS THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2022-05-05 — — WO claimed
US-20230338340-A1 Methods of Treating Cystic Fibrosis DARTMOUTH COLLEGE (US) 2023-10-26 — — US disclosed
US-20230338340-A1 Methods of Treating Cystic Fibrosis DARTMOUTH COLLEGE (US) 2023-10-26 — — US disclosed
WO-2022094079-A1 METHODS OF TREATING CYSTIC FIBROSIS THE TRUSTEES OF DARTMOUTH COLLEGE (US) 2022-05-05 — — 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-20230338340-A1 Methods of Treating Cystic Fibrosis CFTR, DAB2IP, CTTN ALDH1A1 3332/4885HPGD 2613/4885LMNA 3412/4885

“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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