SCHEMBL18893508

SCHEMBL18893508

CC(C)CCSc1cccc(CC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.49
MAOB P27338 4/20 0.49
AR P10275 2/20 0.42
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
PNMT P11086 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 2/20 0.35
TAAR1 Q96RJ0 2/20 0.34

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
SCHEMBL23901016 0.82 SLC6A4 (0.49) MAOAGABRA1GABRB2PNMTSLC6A4
SCHEMBL25144725 0.82 MAOA (0.36) MAOAMAOBGABRA1GABRB2PNMT
SCHEMBL5018830 0.78 SLC6A4 (0.46) MAOAGABRA1GABRB2PNMTPOLB
SCHEMBL12417828 0.77 MAOA (0.50) MAOAMAOBARNPC1POLB
SCHEMBL23901093 0.77 GABRA1 (0.39) MAOAGABRA1GABRB2PNMTSLC6A4
SCHEMBL638290 0.75 ALDH1A1 (0.61) MAOAMAOBARNPC1POLB
SCHEMBL11503378 0.75 SLC6A4 (0.56) MAOAGABRA1GABRB2PNMTPOLB
SCHEMBL8539519 0.74 GABRA1 (0.50) MAOAGABRA1GABRB2PNMTSLC6A4
SCHEMBL28023565 0.74 ALDH1A1 (0.58) MAOAMAOBARNPC1POLB
SCHEMBL17449716 0.72 HTR2A (0.44) GABRA1GABRB2PNMTSLC6A4TAAR1

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-9765065-B2 Therapeutic substituted cyclopentanes ALLERGAN, INC. (US) 2017-09-19 US disclosed
US-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES ALLERGAN, INC. 2017-05-25 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-20170144999-A1 THERAPEUTIC SUBSTITUTED CYCLOPENTANES CYP11B2, CYP11B1, HMGCR MAOA 580/4885MAOB 453/4885AR 289/4885

“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.