SCHEMBL19002769

SCHEMBL19002769

Cc1ccc(=O)n(CCOc2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.57
▸ RAB9A P51151 6/20 0.57
▸ PPARG P37231 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ CYP2C19 P33261 2/20 0.51
▸ GAA P10253 3/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PKM P14618 2/20 0.48
▸ MITF O75030 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PLA2G7 Q13093 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 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
SCHEMBL18997042 0.81 NPC1 (0.50) NPC1RAB9ASMN1; SMN2CYP2C19GAA
SCHEMBL23479951 0.77 NPC1 (0.46) NPC1RAB9APPARGSMN1; SMN2CYP2C19
SCHEMBL13948652 0.73 RAB9A (0.48) NPC1RAB9ASMN1; SMN2CYP2C19GAA
SCHEMBL10044413 0.73 PTGS2 (0.53) SMN1; SMN2CYP2C19LMNAALDH1A1CYP1A2
SCHEMBL11612842 0.72 KMT2A (0.52) NPC1RAB9ASMN1; SMN2CYP2C19GAA
SCHEMBL11615915 0.70 KMT2A (0.52) NPC1RAB9ASMN1; SMN2CYP2C19GAA
SCHEMBL16832297 0.70 KDM4E (0.56) NPC1RAB9ASMN1; SMN2CYP2C19GAA
SCHEMBL24803365 0.69 KDM4E (0.39) SMN1; SMN2ALDH1A1
SCHEMBL17137836 0.69 CYP1A2 (0.46) NPC1RAB9ASMN1; SMN2CYP2C19GAA
SCHEMBL16832401 0.68 SMN1; SMN2 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE SHY Therapeutics LLC 2017-06-22 — — 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-20170174699-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE MAPK6, MAP3K6, MAPK4 NPC1 2024/4885RAB9A 2641/4885PPARG 249/4885

“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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