SCHEMBL14944336

SCHEMBL14944336

COC(=O)/C=C/C1(c2ccc(Cl)cc2)CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.43
HSD11B1 P28845 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 5/20 0.40
SLC6A2 P23975 2/20 0.40
GPX4 P36969 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
THRB P10828 1/20 0.38

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
SCHEMBL28249200 0.85 KDM4E (0.47) HDAC4ALDH1A1MAPTRXRARXRB
SCHEMBL12653436 0.80 SMN1; SMN2 (0.42) HDAC4HSD11B1SLC6A4SLC6A3SLC6A2
SCHEMBL31650546 0.77 DRD2 (0.44) HDAC4LMNAGAARXRARXRB
SCHEMBL12000524 0.75 SLC6A3 (0.46) HDAC4HSD11B1SLC6A4SLC6A3SLC6A2
SCHEMBL8582677 0.73 HDAC4 (0.42) HDAC4HSD11B1SLC6A4SLC6A3SLC6A2
SCHEMBL12000497 0.72 OPRM1 (0.45) HSD11B1SLC6A4SLC6A3SLC6A2ALDH1A1
SCHEMBL3408517 0.72 MAPT (0.38) HDAC4HSD11B1SLC6A4SLC6A3SLC6A2
SCHEMBL8486339 0.71 L3MBTL1 (0.49) SLC6A4SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL8486337 0.71 L3MBTL1 (0.49) SLC6A4SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL20876275 0.71 SLC6A3 (0.49) HDAC4HSD11B1SLC6A4SLC6A3SLC6A2

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 4 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
US-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2012-08-23 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-20120214767-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, TBXA2R HDAC4 2630/4885HSD11B1 782/4885SLC6A4 2800/4885

“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.