SCHEMBL23686901

SCHEMBL23686901

CCCCCCCCc1c(O)cc(C)c(C=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 1/20 0.45
▸ ALOX5 P09917 5/20 0.44
▸ CYP3A4 P08684 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ DHODH Q02127 2/20 0.42
▸ MAPT P10636 1/20 0.41
▸ TYR P14679 1/20 0.41
▸ KAT8 Q9H7Z6 2/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PKM P14618 1/20 0.40

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
SCHEMBL27417240 0.89 CYP19A1 (0.46) CYP19A1ALOX5CYP3A4USP2NPC1
SCHEMBL27417237 0.82 ALOX5 (0.51) CYP19A1ALOX5CYP3A4USP2
SCHEMBL3431006 0.80 ALOX5 (0.44) CYP19A1ALOX5CYP3A4HTTMAPT
SCHEMBL31544955 0.77 ALOX5 (0.49) CYP19A1ALOX5CYP3A4NPC1HPGD
SCHEMBL3904790 0.77 CA2 (0.39) CYP3A4USP2DHODHMAPT
SCHEMBL3915407 0.77 OPRM1 (0.57) CYP3A4USP2MAPTPPARA
SCHEMBL3902347 0.77 CA2 (0.39) CYP3A4USP2DHODHMAPT
SCHEMBL3904168 0.77 CA2 (0.39) CYP3A4USP2DHODHMAPT
SCHEMBL3909497 0.77 CA2 (0.39) CYP3A4USP2DHODHMAPT
SCHEMBL5141874 0.76 ALOX5 (0.46) ALOX5CYP3A4USP2MAPTPPARA

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-20210228531-A1 TARGETED TREATMENT OF AUTISM SPECTRUM DISORDER AND OTHER NEUROLOGICAL OR PSYCHIATRIC DISORDERS AUTTX, LLC 2021-07-29 — — 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-20210228531-A1 TARGETED TREATMENT OF AUTISM SPECTRUM DISORDER AND OTHER NEUROLOGICAL OR PSYCHIATRIC DISORDERS HNRNPL, HNRNPLL, HNRNPA1 CYP19A1 2334/4885ALOX5 1273/4885CYP3A4 3668/4885

“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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