SCHEMBL6280381

SCHEMBL6280381

COc1cc2c(cc1Br)CCC(C)C2C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.52
HTR2A P28223 9/20 0.52
HTR2B P41595 6/20 0.52
CYP19A1 P11511 3/20 0.52
MAOA P21397 3/20 0.44
TSHR P16473 1/20 0.44
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL13705941 0.83 HTR2C (0.59) HTR2CHTR2AHTR2BCYP19A1MAOA
SCHEMBL16158423 0.81 MAOA (0.57) CYP19A1MAOATSHR
SCHEMBL17538360 0.81 MAOA (0.44) MAOATSHRCA1CA2
SCHEMBL16158411 0.79 SMN1; SMN2 (0.44) MAOATSHRCA1CA2
SCHEMBL24387692 0.79 CYP19A1 (0.53) HTR2CHTR2AHTR2BCYP19A1
SCHEMBL17041217 0.79 CYP19A1 (0.53) HTR2CHTR2AHTR2BCYP19A1CA1
SCHEMBL30686718 0.79 CYP19A1 (0.53) HTR2CHTR2AHTR2BCYP19A1
SCHEMBL17538345 0.77 HTR2A (0.48) HTR2AMAOATSHRCA1CA2
SCHEMBL19366286 0.77 HTR2A (0.48) HTR2AMAOATSHRCA1CA2
SCHEMBL15413032 0.76 MAOA (0.33) HTR2CHTR2AHTR2BMAOATSHR

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
WO-2005042509-A1 7-`(7-ALKOXY)-CHROM-3-EN-6-YL!-HEPTATRIENOIC ACID AND 7-`(3­ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL!-HEPTATRIENOIC ACID DERIVATIVES MODULATORS ALLERGAN, INC. (US) 2005-05-12 WO disclosed
US-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY ALLERGAN, INC. 2005-05-05 US disclosed
US-6887896-B1 7-[(7-Alkoxy)-chrom-3-en-6-yl]-heptatrienoic acid and 7-[(3-alkoxy)-5,6-dihydronaphthalen-2-yl]-heptatrienoic acid derivatives having serum glucose reducing activity ALLERGAN, INC. (US) 2005-05-03 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-20050096380-A1 7-[(7-ALKOXY)-CHROM-3-EN-6-YL]-HEPTATRIENOIC ACID AND 7-[(3-ALKOXY)-5,6-DIHYDRONAPHTHALEN-2-YL]-HEPTATRIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY TPO, THRA, FABP6 HTR2C 1759/4885HTR2A 1163/4885HTR2B 1121/4885

“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.