SCHEMBL19876295

SCHEMBL19876295

CCC1(CC)OB(c2ccnc(C(C)(C)C)c2)OC1(CC)CC

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 4/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PRKCI P41743 1/20 0.30
▸ FFAR1 O14842 1/20 0.30
▸ LPL P06858 1/20 0.30
▸ LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL16008825 0.84 FFAR1 (0.40) FFAR1LPLLIPG
SCHEMBL30523101 0.84 FFAR1 (0.40) FFAR1LPLLIPG
SCHEMBL19891733 0.75 LMNA (0.30) LMNASMN1; SMN2NPC1RAB9A
SCHEMBL22185786 0.73 LPL (0.40) FFAR1LPLLIPG
SCHEMBL21201415 0.73 LPL (0.37) FFAR1LPLLIPG
SCHEMBL23597018 0.72 FFAR1 (0.44) FFAR1LPLLIPG
SCHEMBL22289520 0.72 FFAR1 (0.42) FFAR1LPLLIPG
SCHEMBL29506948 0.70 AR (0.40) FFAR1LPLLIPG
SCHEMBL406138 0.70 AR (0.40) FFAR1LPLLIPG
SCHEMBL22977685 0.70 DGAT1 (0.38) FFAR1LPLLIPG

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-10189826-B2 Heterocyclic compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2019-01-29 — — US disclosed
US-20180051013-A1 Heterocyclic Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC 2018-02-22 — — 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 (2 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-10189826-B2 Heterocyclic compounds and methods of use HRAS, VHL, ESRRB ALDH1A1 2384/4885LMNA 2671/4885SMN1; SMN2 4036/4885
US-20180051013-A1 Heterocyclic Compounds and Methods of Use HRAS, VHL, ESRRB ALDH1A1 2384/4885LMNA 2671/4885SMN1; SMN2 4036/4885

“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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