SCHEMBL18101052

SCHEMBL18101052

COC(=O)Cc1ccc2c(c1)C1(CCCO1)c1ccccc1CO2

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.42
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTR7 P34969 2/20 0.35
HTR2B P41595 2/20 0.35
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
GFER P55789 1/20 0.34
AKR1B1 P15121 1/20 0.34
HRH1 P35367 1/20 0.34
SLC7A5 Q01650 1/20 0.34
KMT2A Q03164 1/20 0.34
LIPE Q05469 1/20 0.33

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
SCHEMBL18101049 0.76 PDK2 (0.44) PDK2MAPTHPGDTSHRALDH1A1
SCHEMBL18101050 0.76 PDK2 (0.44) PDK2MAPTHPGDTSHRALDH1A1
SCHEMBL1346099 0.74 PDK2 (0.41) PDK2MAPTHPGDTSHRALDH1A1
SCHEMBL10562946 0.72 MAPT (0.46) PDK2MAPTHPGDTSHRALDH1A1
SCHEMBL8850768 0.71 PDK2 (0.42) PDK2MAPTHPGDTSHRALDH1A1
SCHEMBL4008419 0.69 ALDH1A1 (0.60) MAPTHPGDALDH1A1GAAAKR1B1
SCHEMBL7513748 0.69 MAPT (0.43) PDK2MAPTHPGDTSHRALDH1A1
SCHEMBL4009695 0.68 MAPT (0.43) MAPTHPGDTSHRALDH1A1GAA
SCHEMBL10562607 0.68 MAPT (0.43) MAPTHPGDTSHRALDH1A1GAA
SCHEMBL9749936 0.68 HRH1 (0.53) AKR1B1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9562030-B2 Process for the synthesis of olopatadine COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-02-07 US disclosed
US-9562030-B2 Process for the synthesis of olopatadine COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2017-02-07 US disclosed
US-20160280677-A1 A PROCESS FOR THE SYNTHESIS OF OLOPATADINE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-29 US disclosed
US-20160280677-A1 A PROCESS FOR THE SYNTHESIS OF OLOPATADINE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-29 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-20160280677-A1 A PROCESS FOR THE SYNTHESIS OF OLOPATADINE QDPR, OPRK1, PNMT PDK2 2994/4885MAPT 2461/4885HPGD 1051/4885

“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.