SCHEMBL17147282

SCHEMBL17147282

COC(=O)C1(c2cccc(C)c2)CCCC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.68
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRM3 P20309 1/20 0.43
AKR1C1 Q04828 1/20 0.42
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ABHD10 Q9NUJ1 1/20 0.41
ATM Q13315 1/20 0.41
PRCP P42785 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL22070797 0.94 HDAC4 (0.59) HDAC4KMT2ANPSR1MEN1CYP1A2
SCHEMBL31382087 0.87 OPRM1 (0.55) HDAC4ABHD10ATM
SCHEMBL2848806 0.84 HDAC4 (0.49) HDAC4NPSR1LMNATSHRTDP1
SCHEMBL29705606 0.84 HDAC4 (0.49) HDAC4NPSR1LMNATSHRTDP1
SCHEMBL27379434 0.84 HDAC4 (0.59) HDAC4NPSR1LMNATSHRTDP1
SCHEMBL4942383 0.83 TSHR (0.56) HDAC4KMT2ANPSR1MEN1CYP2C19
SCHEMBL28790841 0.83 HDAC4 (0.51) HDAC4KMT2ANPSR1MEN1LMNA
SCHEMBL2846322 0.83 ADAM17 (0.53) HDAC4KMT2AMEN1TSHR
SCHEMBL30683829 0.83 ADAM17 (0.53) HDAC4KMT2AMEN1TSHR
SCHEMBL8355786 0.82 ADAM17 (0.50) HDAC4LMNATDP1L3MBTL1

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-9334249-B2 Inhibitors of cytomegalovirus BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-10 US disclosed
US-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-08 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-20150284348-A1 INHIBITORS OF CYTOMEGALOVIRUS CDKN1A, CCNA1, IFNAR1 HDAC4 255/4885KMT2A 617/4885NPSR1 2138/4885

“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.