SCHEMBL19323971

SCHEMBL19323971

Cc1[nH]c(C)c2c1CCC2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
HAVCR2 Q8TDQ0 1/20 0.38
BRD4 O60885 10/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PARP1 P09874 1/20 0.31

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
SCHEMBL19323689 0.93 KDM4E (0.50) KDM4EALDH1A1GAARXFP1APOBEC3G
SCHEMBL14985644 0.86
SCHEMBL7203426 0.74 ALDH1A1 (0.50) KDM4EALDH1A1GAARXFP1APOBEC3G
SCHEMBL18190439 0.70 ALDH1A1 (0.43) KDM4EALDH1A1GAARXFP1APOBEC3G
SCHEMBL13925998 0.69 HAVCR2 (0.45) KDM4EALDH1A1GAARXFP1APOBEC3G
SCHEMBL10533578 0.65 KDM4E (0.33) KDM4EHAVCR2
SCHEMBL17349118 0.64 SMN1; SMN2 (0.43) KDM4EALDH1A1GAARXFP1APOBEC3G
SCHEMBL18020322 0.64 SMN1; SMN2 (0.32) ALDH1A1GAARXFP1APOBEC3GSMN1; SMN2
SCHEMBL22814677 0.63 HAVCR2 (0.40) KDM4EALDH1A1HAVCR2MAPTLMNA
SCHEMBL11593915 0.62 SMN1; SMN2 (0.62) KDM4EALDH1A1HAVCR2MAPTLMNA

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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC KDM4E 3963/4885ALDH1A1 1148/4885GAA 214/4885

“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.