SCHEMBL9912002

SCHEMBL9912002

CC1=C(C(C)C)OCCN1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL12147340 0.77
SCHEMBL26883245 0.72
SCHEMBL18811933 0.72 ALDH1A1 (0.31) ALDH1A1GAAMAPTHSD17B10
SCHEMBL12148566 0.70
SCHEMBL12147343 0.68
SCHEMBL13228786 0.68 ALDH1A1 (0.33) ALDH1A1GAAMAPTHSD17B10
SCHEMBL9912001 0.65
SCHEMBL12147346 0.64 PIK3CD (0.31)
SCHEMBL6469847 0.64
SCHEMBL17344753 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120258961-A1 4-AMINO-1,3-THIAZINE OR OXAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-10-11 US disclosed
EP-2174934-B1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2012-06-06 EP disclosed
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2010-08-05 US disclosed
US-20100069374-A1 Tricyclic benzopyrane compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-03-18 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 (3 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-20100069374-A1 Tricyclic benzopyrane compound CBR1, CBR3, CYP2C9 ALDH1A1 2252/4885GAA 4738/4885MAPT 4877/4885
US-20100196319-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS ZC3HAV1, IDO1, ZC3HAV1L ALDH1A1 410/4885GAA 4168/4885MAPT 3731/4885
US-20120258961-A1 4-AMINO-1,3-THIAZINE OR OXAZINE DERIVATIVE APP, IAPP, APBA1 ALDH1A1 1047/4885GAA 2315/4885MAPT 8/4885

“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.