SCHEMBL3470800

SCHEMBL3470800

CCOC(=O)c1ccc(OC(C)OC)c(OC(C)OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.57
MAPT P10636 6/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPK1 P28482 1/20 0.56
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL7684319 0.84 MAPT (0.77) HSD17B2MAPTALDH1A1MAPK1CA12
SCHEMBL4273797 0.83 HSD17B2 (0.55) HSD17B2MAPTALDH1A1MAPK1CA12
SCHEMBL23876967 0.81 ALDH1A1 (0.59) HSD17B2MAPTALDH1A1MAPK1CA12
SCHEMBL7093941 0.81 ALDH1A1 (0.62) HSD17B2MAPTALDH1A1MAPK1CA12
SCHEMBL11341115 0.80 MAPT (0.61) HSD17B2MAPTALDH1A1MAPK1CA12
SCHEMBL30506315 0.79 HSD17B2 (0.76) HSD17B2MAPTALDH1A1MAPK1CA12
SCHEMBL1660365 0.79 HSD17B2 (0.76) HSD17B2MAPTALDH1A1MAPK1CA12
SCHEMBL3470599 0.78 MAPT (0.64) MAPTALDH1A1MAPK1CA12CA1
SCHEMBL16605589 0.77 MAPT (0.57) HSD17B2MAPTALDH1A1MAPK1CA12
SCHEMBL9005554 0.76 HSD17B2 (0.70) HSD17B2MAPTALDH1A1MAPK1CA12

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
CN-106916067-A The preparation method of hydrochloric acid Erlotinib key intermediate 江苏豪森药业集团有限公司 2017-07-04 CN claimed
CN-106916067-B Preparation method of erlotinib hydrochloride key intermediate 江苏豪森药业集团有限公司 2021-07-06 CN disclosed
CN-106916067-A The preparation method of hydrochloric acid Erlotinib key intermediate 江苏豪森药业集团有限公司 2017-07-04 CN disclosed
US-20100267949-A1 Method of Synthesizing 6,7-Substituted 4-Anilino Quinazoline OMEGA MEDICAL TAIWAN LIMITED (TW) 2010-10-21 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-20100267949-A1 Method of Synthesizing 6,7-Substituted 4-Anilino Quinazoline NQO2, ATIC, CYP3A7 HSD17B2 2078/4885MAPT 3826/4885ALDH1A1 878/4885

“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.