SCHEMBL17356152

SCHEMBL17356152

Cc1cc(C(C)C)nn1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SIGMAR1 Q99720 1/20 0.39
HPGD P15428 1/20 0.38
KCNH2 Q12809 2/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
KDM5A P29375 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR3C1 P04150 1/20 0.33
PDE7A Q13946 1/20 0.33
TSHR P16473 1/20 0.33
ESR1 P03372 1/20 0.33
FPR1 P21462 1/20 0.32

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
SCHEMBL15071317 0.91 KDM5A (0.36) ALDH1A1KDM4EHSD17B10SIGMAR1CCNT1
SCHEMBL18692782 0.81 HPGD (0.43) ALDH1A1KDM4EHSD17B10HPGDKCNH2
SCHEMBL3364096 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10SIGMAR1HPGD
SCHEMBL31462462 0.79 ALDH1A1 (0.49) ALDH1A1KDM4EHSD17B10SIGMAR1HPGD
SCHEMBL18692292 0.79 HPGD (0.41) ALDH1A1KDM4EHSD17B10HPGDKCNH2
SCHEMBL16347011 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10HPGDKCNH2
SCHEMBL23748795 0.77 KDM4E (0.46) ALDH1A1KDM4EHSD17B10SIGMAR1HPGD
SCHEMBL10282157 0.76 HPGD (0.45) ALDH1A1KDM4EHSD17B10SIGMAR1HPGD
SCHEMBL19300056 0.76 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10SIGMAR1HPGD
SCHEMBL21191295 0.76 CYP4F2 (0.43) ALDH1A1CCNT1CDK9

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-9695198-B2 Factor IXa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-07-04 US disclosed
US-20150368269-A1 Factor IXa Inhibitors MERCK SHARP & DOHME CORP. (US) 2015-12-24 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-20150368269-A1 Factor IXa Inhibitors F9, TFPI, F13B ALDH1A1 1321/4885KDM4E 1014/4885HSD17B10 1175/4885

“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.