SCHEMBL4368394

SCHEMBL4368394

c1ccc(COC2CC3CCC2C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 4/20 0.45
PSEN2 P49810 4/20 0.45
APH1B Q8WW43 4/20 0.45
NCSTN Q92542 4/20 0.45
APH1A Q96BI3 4/20 0.45
PSENEN Q9NZ42 4/20 0.45
HPGD P15428 1/20 0.43
CYP19A1 P11511 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRL1 P41146 2/20 0.41
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
CTSC P53634 1/20 0.40
CTSF Q9UBX1 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
HTR2A P28223 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
SCHEMBL13148548 0.87 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21549664 0.83 OPRM1 (0.43) HPGDCYP19A1OPRM1
SCHEMBL14003134 0.83 CYP19A1 (0.43) CYP19A1
SCHEMBL14461618 0.81 SLC6A4 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12093028 0.77 CTSL (0.49) OPRM1OPRL1CTSLCTSBCTSK
SCHEMBL22738652 0.75 OPRM1 (0.37) HPGDCYP19A1OPRM1
SCHEMBL14667585 0.74 HPGD (0.40) HPGDCYP19A1CTSVCTSLCTSS
SCHEMBL21359781 0.74 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL20995912 0.74 PSEN1 (0.53) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21549620 0.73 HTR2A (0.46) HPGDCTSLCTSBCTSKBCHE

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-20090012324-A1 Process for Production of Carboxylic Acid Ester or Ether Compound NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2009-01-08 US disclosed
WO-2007007084-A2 COPPER (II) CATALYSED ADDITIONS TO ALKENES IC INNOVATIONS LIMITED (GB) 2007-01-18 WO 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-20090012324-A1 Process for Production of Carboxylic Acid Ester or Ether Compound TECR, CA14, ACSL4 PSEN1 4361/4885PSEN2 3555/4885APH1B 2489/4885

“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.