SCHEMBL12197705

SCHEMBL12197705

C=C(C)[C@H]1Cc2c(ccc(C3=NOC4COc5cc(CO)c(OC)cc5C34)c2O)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 8/20 0.54
▸ MAPT P10636 8/20 0.54
▸ SMN1; SMN2 Q16637 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ CYP2C19 P33261 4/20 0.54
▸ KDM4E B2RXH2 4/20 0.54
▸ LMNA P02545 4/20 0.54
▸ MAPK1 P28482 4/20 0.54
▸ TP53 P04637 4/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ TSHR P16473 3/20 0.54
▸ MT-ND4 P03905 3/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ NPC1 O15118 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ USP2 O75604 2/20 0.54
▸ CYP1A2 P05177 2/20 0.54
▸ GMNN O75496 1/20 0.54
▸ ABCB11 O95342 1/20 0.54
▸ POLB P06746 1/20 0.54

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
SCHEMBL13056618 0.92 CYP3A4 (0.63) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL47262 0.92 CYP3A4 (0.63) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL10280019 0.92 CYP3A4 (0.63) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL13056524 0.87 CYP3A4 (0.51) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL16202237 0.82 CYP3A4 (0.48) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL15315417 0.82 CYP3A4 (0.69) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL17211597 0.82 CYP3A4 (0.42) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL13056515 0.80 CYP3A4 (0.84) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL10133744 0.80 CYP3A4 (0.59) CYP3A4MAPTSMN1; SMN2ALDH1A1CYP2C19
SCHEMBL2631491 0.79 CYP3A4 (0.58) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180120306-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MED SYST INC (US) 2018-05-03 — — US disclosed
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-9103822-B2 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. (US) 2015-08-11 — — US disclosed
US-9017954-B2 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. (US) 2015-04-28 — — 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-20140243236-A1 POLYMERIC CARRIERS FOR IMMUNOHISTOCHEMISTRY AND IN SITU HYBRIDIZATION VENTANA MEDICAL SYSTEMS, INC. (US) 2014-08-28 — — US disclosed
US-20130273565-A1 POLYMERIC CARRIERS FOR IMMUNOHISTOCHEMISTRY AND IN SITU HYBRIDIZATION VENTANA MEDICAL SYSTEMS, INC. (US) 2013-10-17 — — US disclosed
US-8486620-B2 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. (US) 2013-07-16 — — US disclosed
US-8445191-B2 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. (US) 2013-05-21 — — US disclosed
US-20130109019-A1 HAPTEN CONJUGATES FOR TARGET DETECTION VENTANA MEDICAL SYSTEMS, INC. 2013-05-02 — — US disclosed
US-20110245098-A1 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. 2011-10-06 — — US disclosed
US-20110244545-A1 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. 2011-10-06 — — US disclosed
US-20110244544-A1 Polymeric carriers for immunohistochemistry and in situ hybridization VENTANA MEDICAL SYSTEMS, INC. 2011-10-06 — — 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 (5 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-20110244545-A1 Polymeric carriers for immunohistochemistry and in situ hybridization FCGR2A, CD68, CA14 CYP3A4 1601/4885MAPT 4554/4885SMN1; SMN2 4326/4885
US-20180120306-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE CRBN, AHR, RORB CYP3A4 33/4885MAPT 2927/4885SMN1; SMN2 4647/4885
US-20130109019-A1 HAPTEN CONJUGATES FOR TARGET DETECTION TYR, TH, TYRO3 CYP3A4 5/4885MAPT 4799/4885SMN1; SMN2 4698/4885
US-20140243236-A1 POLYMERIC CARRIERS FOR IMMUNOHISTOCHEMISTRY AND IN SITU HYBRIDIZATION FCGR2A, CD68, CA14 CYP3A4 1601/4885MAPT 4554/4885SMN1; SMN2 4326/4885
US-20110244544-A1 Polymeric carriers for immunohistochemistry and in situ hybridization FCGR2A, CD68, CA14 CYP3A4 1601/4885MAPT 4554/4885SMN1; SMN2 4326/4885

“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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