SCHEMBL10105366

SCHEMBL10105366

COC(=O)Nc1ccc(C(=O)O)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53
TUBA1B P68363 1/20 0.53
TUBA4A P68366 1/20 0.53
TUBB4B P68371 1/20 0.53
TUBB3 Q13509 1/20 0.53
TUBB2A Q13885 1/20 0.53
TUBB8 Q3ZCM7 1/20 0.53
TUBA3E Q6PEY2 1/20 0.53
TUBA1A Q71U36 1/20 0.53
TUBA1C Q9BQE3 1/20 0.53
TUBB6 Q9BUF5 1/20 0.53
TUBB2B Q9BVA1 1/20 0.53
TUBB1 Q9H4B7 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47

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
SCHEMBL1162352 0.87 TDP1 (0.56) ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD
SCHEMBL7403879 0.86 ALDH1A1 (0.55) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25167821 0.83 ALDH1A1 (0.59) ALDH1A1KMT2AKDM4EHPGDMAPT
SCHEMBL9430839 0.83 CYP1A2 (0.54) ALDH1A1KMT2AKDM4EMAPTCYP1A2
SCHEMBL2390452 0.83 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD
SCHEMBL2091191 0.82 SMN1; SMN2 (0.67) ALDH1A1SMN1; SMN2KMT2AKDM4EMAPT
Hydrochloric Acid SCHEMBL2512014 0.81 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD
SCHEMBL11536864 0.81 CYP1A2 (0.73) ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD
SCHEMBL16753842 0.81 TUBB4A (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4392689 0.81 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2KMT2AKDM4EHPGD

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-20120165520-A1 PROCESS FOR THE SYNTHESIS OF PRODRUGS OF OPIOIDS SHIRE LLC 2012-06-28 US disclosed
US-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF SHIRE PHARMACEUTICALS, INC. (US) 2011-08-04 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 (2 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-20110190267-A1 PRODRUGS OF OPIOIDS AND USES THEREOF OPRK1, OPRL1, OPRM1 ALDH1A1 225/4885TUBB4A 3344/4885TUBB 3965/4885
US-20120165520-A1 PROCESS FOR THE SYNTHESIS OF PRODRUGS OF OPIOIDS OPRM1, OPRK1, OPRD1 ALDH1A1 276/4885TUBB4A 1580/4885TUBB 1232/4885

“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.