SCHEMBL14944332

SCHEMBL14944332

COC(=O)CCC1(c2ccc(OC)cc2)CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
P2RX7 Q99572 4/20 0.51
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 6/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 2/20 0.44
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL12653432 0.92 POLB (0.50) POLBP2RX7KMT2AALDH1A1HTT
SCHEMBL31650310 0.83 P2RX7 (0.46) POLBP2RX7KMT2AALDH1A1HTT
SCHEMBL31650239 0.82 POLB (0.48) POLBP2RX7KMT2AALDH1A1HTT
SCHEMBL4800365 0.79 SLC6A4 (0.49) POLBP2RX7KMT2AALDH1A1SLC6A4
SCHEMBL1806218 0.78 HSD11B1 (0.54) KMT2AALDH1A1MEN1SLC6A4SLC6A3
SCHEMBL364190 0.78 HSD11B1 (0.65) POLBP2RX7KMT2AALDH1A1MEN1
SCHEMBL12886837 0.78 POLB (0.52) POLBP2RX7KMT2AMEN1SLC6A4
SCHEMBL24309995 0.77 ALDH1A1 (0.44) KMT2AALDH1A1MEN1LMNAKDM4E
SCHEMBL14944333 0.77 SLC6A4 (0.40) ALDH1A1SLC6A4SLC6A3
SCHEMBL21131084 0.77 SLC6A4 (0.49) KMT2AALDH1A1MEN1SLC6A4SLC6A3

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 POLB 3030/4885P2RX7 80/4885KMT2A 3948/4885

“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.