SCHEMBL245082

SCHEMBL245082

CC(C)CC(=O)Oc1ccc2c(c1)C(=O)c1ccccc1CO2

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.72
MAPT P10636 4/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
KMT2A Q03164 1/20 0.65
RAB9A P51151 2/20 0.62
KDM4E B2RXH2 1/20 0.62
NPC1 O15118 1/20 0.62
GAA P10253 1/20 0.62
HPGD P15428 1/20 0.62
ALOX12 P18054 1/20 0.62
TDP1 Q9NUW8 1/20 0.62

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
SCHEMBL246421 0.85 ALDH1A1 (0.74) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL3809960 0.84 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL10867494 0.84 ALDH1A1 (0.76) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL10925574 0.82 MAPT (0.85) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL243350 0.81 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL653579 0.78 ALDH1A1 (1.00) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
3-Methylbutanoic Acid SCHEMBL3359773 0.77 AKR1B1 (0.57) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL11087760 0.76 MAPT (0.67) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL11090808 0.75 MAPT (0.66) ALDH1A1MAPTSMN1; SMN2KMT2ARAB9A
SCHEMBL246197 0.75 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E

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-9000195-B2 Process for obtaining olopatadine and intermediates CRYSTAL PHARMA, S.A.U. (ES) 2015-04-07 US disclosed
US-20120004426-A1 PROCESS FOR OBTAINING OLOPATADINE AND INTERMEDIATES RAGACTIVES, S.L.U. (ES) 2012-01-05 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-20120004426-A1 PROCESS FOR OBTAINING OLOPATADINE AND INTERMEDIATES OXER1, AOC3, OPRD1 ALDH1A1 379/4885MAPT 3981/4885SMN1; SMN2 1959/4885

“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.