SCHEMBL4299714

SCHEMBL4299714

OCCCCC[C@H](O)c1ccc(-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.45
SRD5A2 P31213 1/20 0.42
MARS1 P56192 5/20 0.39
ALPL P05186 2/20 0.38
CNR1 P21554 1/20 0.37
DAGLA Q9Y4D2 2/20 0.37
PTGER2 P43116 1/20 0.37
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
ACLY P53396 2/20 0.36

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
SCHEMBL4299709 1.00 AHR (0.45) AHRSRD5A2MARS1ALPLCNR1
SCHEMBL13783717 1.00 AHR (0.45) AHRSRD5A2MARS1ALPLCNR1
SCHEMBL4296855 1.00 AHR (0.45) AHRSRD5A2MARS1ALPLCNR1
SCHEMBL13783724 0.98 AHR (0.46) AHRSRD5A2MARS1ALPLCNR1
SCHEMBL13783727 0.98 AHR (0.46) AHRSRD5A2MARS1ALPLCNR1
SCHEMBL13783739 0.89 CNR1 (0.46) AHRSRD5A2MARS1CNR1DAGLA
SCHEMBL13783740 0.89 CNR1 (0.46) AHRSRD5A2MARS1CNR1DAGLA
SCHEMBL13783741 0.89 CNR1 (0.46) AHRSRD5A2MARS1CNR1DAGLA
SCHEMBL13670577 0.84 AOC3 (0.42) PTGER2
SCHEMBL13783714 0.83 AHR (0.41) AHRSRD5A2MARS1ALPLCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560597-B2 2′,4′-dichloro-biphenyl-4-yl-hydroxy-ketones and related compounds and their use as therapeutic agents THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-07-14 US disclosed
US-7560597-B2 2′,4′-dichloro-biphenyl-4-yl-hydroxy-ketones and related compounds and their use as therapeutic agents THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-07-14 US disclosed
US-7560597-B2 2′,4′-dichloro-biphenyl-4-yl-hydroxy-ketones and related compounds and their use as therapeutic agents THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2009-07-14 US disclosed
US-20080221220-A1 2',4'-DICHLORO-BIPHENYL-4-YL-HYDROXY-KETONES AND RELATED COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-09-11 US disclosed
US-20080221220-A1 2',4'-DICHLORO-BIPHENYL-4-YL-HYDROXY-KETONES AND RELATED COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-09-11 US disclosed
US-20080221220-A1 2',4'-DICHLORO-BIPHENYL-4-YL-HYDROXY-KETONES AND RELATED COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-09-11 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-20080221220-A1 2',4'-DICHLORO-BIPHENYL-4-YL-HYDROXY-KETONES AND RELATED COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS RORB, RORC, NR1H2 AHR 195/4885SRD5A2 188/4885MARS1 4662/4885

“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.