SCHEMBL17806191

SCHEMBL17806191

CCCCCc1ccc(OCCOCCOCCN)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.71
▸ USP2 O75604 1/20 0.71
▸ ALDH1A1 P00352 1/20 0.71
▸ LMNA P02545 1/20 0.71
▸ CYP3A4 P08684 1/20 0.71
▸ MAPK1 P28482 1/20 0.71
▸ CASP1 P29466 1/20 0.71
▸ KMT2A Q03164 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.71
▸ SLCO1B3 Q9NPD5 1/20 0.71
▸ SLCO1B1 Q9Y6L6 1/20 0.71
▸ HTR2A P28223 1/20 0.54
▸ CDK5 Q00535 2/20 0.49
▸ CDK5R1 Q15078 2/20 0.49
▸ RARB P10826 2/20 0.45
▸ RARA P10276 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ PLA2G4A P47712 1/20 0.44

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
SCHEMBL17806184 1.00 MEN1 (0.71) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL11254222 0.90 ALDH1A1 (0.85) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL11932188 0.90 HTR2A (0.61) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL27033062 0.89 HTR2A (0.65) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL27944556 0.89 HTR2A (0.65) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL27954266 0.89 HTR2A (0.65) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL27944557 0.89 HTR2A (0.65) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL27043855 0.89 HTR2A (0.65) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL27944579 0.89 HTR2A (0.65) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL27954267 0.89 HTR2A (0.65) MEN1USP2ALDH1A1LMNACYP3A4

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-9656972-B2 Compounds for treatment of cystic fibrosis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2017-05-23 — — US disclosed
US-20160159754-A1 COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH 2016-06-09 — — 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-20160159754-A1 COMPOUNDS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, ELANE, OTC MEN1 4488/4885USP2 2013/4885ALDH1A1 1108/4885

“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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