SCHEMBL6918962

SCHEMBL6918962

[CH2]CCCCC1CCc2ccccc2O1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
HTR1A P08908 12/20 0.47
SIGMAR1 Q99720 2/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
HTR1D P28221 10/20 0.45

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
SCHEMBL3641960 0.84 CYP1A2 (0.51) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL12064816 0.83 CYP1A2 (0.54) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL967958 0.83 CA2 (0.50) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL968880 0.83 HTR1A (0.51) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL8510380 0.83 CA2 (0.50) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL1568273 0.82 CA2 (0.55) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL7628613 0.80 SIGMAR1 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL407503 0.79 CA2 (0.56) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL10645332 0.79 CA2 (0.52) CA2HTR1ASIGMAR1ADRA2AADRA2B
SCHEMBL2108392 0.79 CA2 (0.52) CA2HTR1ASIGMAR1ADRA2AADRA2B

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-20040044225-A1 Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives MILLENNIUM PHARMACEUTICALS, INC. 2004-03-04 US disclosed
WO-2001092249-A3 CHIRAL AND ACHIRAL SYNTHESIS OF 2-ACYL SUBSTITUTED CHROMANES AND THEIR DERIVATIVES COR THERAPEUTICS INC (US) 2002-04-11 WO disclosed
WO-2001092249-A2 CHIRAL AND ACHIRAL SYNTHESIS OF 2-ACYL SUBSTITUTED CHROMANES AND THEIR DERIVATIVES COR THERAPEUTICS, INC. (US) 2001-12-06 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-20040044225-A1 Chiral and achiral synthesis of 2-acyl substituted chromanes and their derivatives ACAT2, ACACA, COASY CA2 57/4885HTR1A 1532/4885SIGMAR1 2381/4885

“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.