SCHEMBL10224068

SCHEMBL10224068

COCCOc1cccc(CC(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GGPS1 O95749 2/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.48
▸ GAA P10253 1/20 0.42
▸ CYP2D6 P10635 3/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ RPS6KB1 P23443 1/20 0.40
▸ FBP1 P09467 1/20 0.39
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ DHFR P00374 1/20 0.38

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
SCHEMBL10224056 0.88 GGPS1 (0.46) GGPS1MAPK1TSHRMAOB
SCHEMBL12866793 0.86 GGPS1 (0.50) GGPS1KDM4EALDH1A1CYP2D6MAPK1
SCHEMBL12775663 0.83 ALDH1A1 (0.48) GGPS1KDM4EALDH1A1MAPK1TSHR
SCHEMBL10223981 0.83 GGPS1 (0.42) GGPS1KDM4EALDH1A1CYP2D6MAPK1
SCHEMBL18074273 0.82 MEN1 (0.34) GGPS1KDM4EALDH1A1CYP2D6MAPK1
SCHEMBL10224029 0.81 CHRNB2 (0.53) MAPK1TSHRCHRNB2CHRNA4
SCHEMBL3966708 0.81 KDM4E (0.52) GGPS1KDM4EALDH1A1GAACYP2D6
SCHEMBL12775724 0.81 TP53 (0.56) GGPS1KDM4EALDH1A1CYP2D6MAPK1
SCHEMBL16841500 0.81 GGPS1 (0.41) GGPS1KDM4EALDH1A1TSHRSMN1; SMN2
SCHEMBL4487459 0.81 KDM4E (0.68) GGPS1KDM4EALDH1A1GAACYP2D6

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-8148367-B2 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-03 — — US disclosed
US-20100105665-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-04-29 — — 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-20100105665-A1 RENIN INHIBITORS REN, ACE, AGT GGPS1 2094/4885KDM4E 2733/4885ALDH1A1 947/4885

“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.

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