SCHEMBL13056524

SCHEMBL13056524

C=C(C)[C@H]1Cc2c(ccc(C3=NOC4COc5cc(CO)c(OC)cc5C34)c2OCC(=O)O)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.51
▸ MAPT P10636 8/20 0.51
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ CYP2C19 P33261 4/20 0.51
▸ KDM4E B2RXH2 4/20 0.51
▸ LMNA P02545 4/20 0.51
▸ MAPK1 P28482 4/20 0.51
▸ TP53 P04637 4/20 0.51
▸ CYP2C9 P11712 3/20 0.51
▸ TSHR P16473 3/20 0.51
▸ MT-ND4 P03905 3/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ USP2 O75604 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ GMNN O75496 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ POLB P06746 1/20 0.51

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
SCHEMBL2631491 0.94 CYP3A4 (0.58) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL16202237 0.90 CYP3A4 (0.48) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL10133744 0.88 CYP3A4 (0.59) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL12197705 0.87 CYP3A4 (0.54) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL19828217 0.84 CYP3A4 (0.54) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL13248252 0.83 CYP3A4 (0.49) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL13248243 0.83 CYP3A4 (0.52) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL13248245 0.83 CYP3A4 (0.54) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL13248253 0.82 CYP3A4 (0.51) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL15744050 0.82 CYP3A4 (0.53) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9719986-B2 Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2017-08-01 — — US disclosed
US-20140323336-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2014-10-30 — — US disclosed
US-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. 2010-11-25 — — 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-20100297725-A1 Haptens, hapten conjugates, compositions thereof and method for their preparation and use CRBN, GABBR1, SHBG CYP3A4 24/4885MAPT 2915/4885SMN1; SMN2 4733/4885

“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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