SCHEMBL1807718

SCHEMBL1807718

O=C(O)/C=C/C1(c2ccc(F)cc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.50
RXRA P19793 2/20 0.44
RXRB P28702 2/20 0.44
RXRG P48443 2/20 0.44
SLC6A3 Q01959 3/20 0.40
S1PR1 P21453 1/20 0.39
RARB P10826 1/20 0.37
RARG P13631 1/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
FAAH O00519 1/20 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
SCHEMBL1807251 1.00 HSD11B1 (0.50) HSD11B1RXRARXRBRXRGSLC6A3
SCHEMBL433242 0.83 RXRA (0.47) HSD11B1RXRARXRBRXRGSLC6A3
SCHEMBL433241 0.83 RXRA (0.47) HSD11B1RXRARXRBRXRGSLC6A3
SCHEMBL433694 0.80 HSD11B1 (0.54) HSD11B1SLC6A3S1PR1SLC6A4SLC6A2
SCHEMBL433257 0.80 HSD11B1 (0.54) HSD11B1SLC6A3S1PR1SLC6A4SLC6A2
SCHEMBL12000497 0.80 OPRM1 (0.45) HSD11B1RXRARXRBRXRGSLC6A3
SCHEMBL15043624 0.76 SLC6A3 (0.45) HSD11B1SLC6A3S1PR1SLC6A4SLC6A2
SCHEMBL436575 0.75 SLC6A3 (0.47) HSD11B1SLC6A3SLC6A4SLC6A2HDAC1
SCHEMBL1805761 0.75 SLC6A3 (0.45) HSD11B1SLC6A3S1PR1SLC6A4SLC6A2
SCHEMBL11971347 0.75 SLC6A3 (0.45) HSD11B1SLC6A3S1PR1SLC6A4SLC6A2

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
EP-2592071-B1 Tricyclic heterocyclic compounds BRISTOL MYERS SQUIBB CO (US) 2019-09-18 EP disclosed
US-9216972-B2 Tricyclic heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2015-12-22 US disclosed
EP-2592071-A1 Tricyclic heterocyclic compounds Bristol-Myers Squibb Company (US) 2013-05-15 EP disclosed
EP-2493866-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2012-09-05 EP disclosed
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 US disclosed
WO-2011059784-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R HSD11B1 782/4885RXRA 695/4885RXRB 639/4885

“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.