SCHEMBL15043706

SCHEMBL15043706

C/C=C/C1(c2ccc(F)cc2Cl)CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.35
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
P2RX7 Q99572 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD11B1 P28845 1/20 0.32
OPRL1 P41146 2/20 0.32
PDE2A O00408 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC6A2 P23975 1/20 0.30

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
SCHEMBL15042361 0.84 HDAC4 (0.33) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL16409128 0.75 HDAC4 (0.39) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL20315395 0.73 HDAC6 (0.39) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL15043629 0.73 SLC6A3 (0.42) SLC6A4SLC6A3ALDH1A1HSD11B1SLC6A2
SCHEMBL15043624 0.71 SLC6A3 (0.45) SLC6A4SLC6A3HSD11B1SLC6A2
SCHEMBL15043691 0.71 SLC6A4 (0.48) HDAC6HDAC3HDAC1HDAC2SLC6A4
SCHEMBL15113584 0.71 SLC6A4 (0.40) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL17816445 0.71 HDAC4 (0.36) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL15043672 0.70 HDAC4 (0.42) HDAC4SLC6A4SLC6A3PSEN1PSEN2
SCHEMBL16220556 0.69 HDAC4 (0.50) HDAC4HDAC6HDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822510-B2 Substituted 3-phenyl-1,2,4-Oxadiazole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-02 US disclosed
US-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS BRISTOL-MYERS SQUBIB COMPANY 2013-06-20 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-20130158001-A1 SUBSTITUTED 3-PHENYL-1,2,4-OXADIAZOLE COMPOUNDS S1PR1, S1PR3, S1PR2 HDAC4 3612/4885HDAC6 3426/4885HDAC3 1710/4885

“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.