SCHEMBL17211597

SCHEMBL17211597

C=C(C)[C@H]1Cc2c(ccc(C3=NOC4OCc5cc(CO)c(OC)cc5C34)c2O)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP2C19 P33261 3/20 0.42
▸ CYP2C9 P11712 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ MT-ND4 P03905 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ GMNN O75496 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL17213340 0.92 MAPT (0.47) CYP3A4MAPTALDH1A1CYP2C19CYP2C9
SCHEMBL12197705 0.82 CYP3A4 (0.54) CYP3A4MAPTALDH1A1CYP2C19CYP2C9
SCHEMBL13056618 0.74 CYP3A4 (0.63) CYP3A4MAPTALDH1A1CYP2C19CYP2C9
SCHEMBL10280019 0.74 CYP3A4 (0.63) CYP3A4MAPTALDH1A1CYP2C19CYP2C9
SCHEMBL47262 0.74 CYP3A4 (0.63) CYP3A4MAPTALDH1A1CYP2C19CYP2C9
SCHEMBL14139329 0.71 CYP3A4 (0.66) CYP3A4MAPTALDH1A1CYP2C19CYP2C9
SCHEMBL15315417 0.70 CYP3A4 (0.69) CYP3A4MAPTALDH1A1CYP2C19CYP2C9
SCHEMBL13056524 0.70 CYP3A4 (0.51) CYP3A4MAPTALDH1A1CYP2C19CYP2C9
SCHEMBL19828213 0.68 CYP3A4 (0.44) CYP3A4MAPTALDH1A1CYP2C19CYP2C9
SCHEMBL13056515 0.68 CYP3A4 (0.84) CYP3A4MAPTALDH1A1CYP2C19CYP2C9

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-9575067-B2 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. (US) 2017-02-21 — — US disclosed
US-20150309039-A1 Polymeric Carriers for Immunohistochemistry and In Situ Hybridization VENTANA MEDICAL SYSTEMS 2015-10-29 — — 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-20150309039-A1 Polymeric Carriers for Immunohistochemistry and In Situ Hybridization FCGR2A, CD68, CA14 CYP3A4 1601/4885MAPT 4554/4885ALDH1A1 180/4885

“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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