SCHEMBL12136828

SCHEMBL12136828

CCCC(C)c1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ MAPT P10636 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HPGD P15428 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ GCG P01275 1/20 0.42
▸ GAA P10253 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ MCHR1 Q99705 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
SCHEMBL14372263 0.84 MEN1 (0.50) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL12136826 0.83 RXFP1 (0.50) RAB9ANPC1TAS1R3TAS1R1MAPT
SCHEMBL12136754 0.79 RAB9A (0.60) RAB9ANPC1L3MBTL1MAPTALDH1A1
SCHEMBL12136829 0.78 MEN1 (0.48) RAB9ANPC1SMN1; SMN2GCGLMNA
SCHEMBL12136827 0.75 MAPT (0.47) MAPTTHRBRXFP1MCHR1MEN1
SCHEMBL14082262 0.74 NPC1 (0.58) RAB9ANPC1TAS1R3TAS1R1TAS1R2
SCHEMBL14082419 0.73 NPC1 (0.61) RAB9ANPC1L3MBTL1TAS1R3TAS1R1
SCHEMBL12388857 0.71 TAS1R3 (0.71) RAB9ANPC1L3MBTL1TAS1R3TAS1R1
SCHEMBL14082701 0.70 NPC1 (0.53) RAB9ANPC1L3MBTL1TAS1R3TAS1R1
SCHEMBL13754033 0.69 ALDH1A1 (0.61) RAB9ANPC1L3MBTL1TAS1R3TAS1R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067608-B2 Hedgehog pathway antagonists THE JOHNS HOPKINS UNIVERSITY (US) 2011-11-29 — — US disclosed
US-8067608-B2 Hedgehog pathway antagonists THE JOHNS HOPKINS UNIVERSITY (US) 2011-11-29 — — US disclosed
US-20070232661-A1 Hedgehog Pathway Antagonists NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-10-04 — — 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-20070232661-A1 Hedgehog Pathway Antagonists GLI1, SHH, SMO RAB9A 990/4885NPC1 1048/4885L3MBTL1 473/4885

“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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