SCHEMBL17816445

SCHEMBL17816445

CC(C)(C)C1(c2ccc(F)cc2Cl)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.36
OPRL1 P41146 4/20 0.35
HDAC6 Q9UBN7 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 3/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
ALDH1A1 P00352 1/20 0.34
P2RX7 Q99572 3/20 0.34
HSD11B1 P28845 1/20 0.33
PDE2A O00408 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL12225794 0.79 BACE1 (0.40) HDAC4OPRL1HDAC6HDAC3HDAC1
SCHEMBL16409128 0.77 HDAC4 (0.39) HDAC4OPRL1HDAC6HDAC3HDAC1
SCHEMBL20997674 0.75 SLC6A3 (0.45) SLC6A4SLC6A3HSD11B1
SCHEMBL15113584 0.73 SLC6A4 (0.40) HDAC4HDAC6HDAC3HDAC1HDAC2
SCHEMBL802999 0.72 GRIN1 (0.41) HDAC4SLC6A4ALDH1A1
SCHEMBL15043706 0.71 HDAC4 (0.35) HDAC4OPRL1HDAC6HDAC3HDAC1
SCHEMBL16220556 0.71 HDAC4 (0.50) HDAC4OPRL1HDAC6HDAC3HDAC1
SCHEMBL15043676 0.71 SLC6A3 (0.46) SLC6A4SLC6A3
SCHEMBL13425236 0.71 SLC6A3 (0.44) SLC6A4SLC6A3HSD11B1
SCHEMBL18769476 0.70 HDAC3 (0.37) HDAC6HDAC3HDAC1HDAC2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 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-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS HDAC4 2374/4885OPRL1 4467/4885HDAC6 260/4885

“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.