SCHEMBL7909540

SCHEMBL7909540

COc1cc(COc2ccccc2C=O)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.56
ALDH1A1 P00352 3/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTP4A3 O75365 1/20 0.49
TUBB1 Q9H4B7 1/20 0.48
CCNB2 O95067 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
CCND1 P24385 1/20 0.48
CCNB3 Q8WWL7 1/20 0.48

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
SCHEMBL22784072 0.88 ABCB1 (0.60) ABCB1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL30758793 0.88 ABCB1 (0.60) ABCB1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL5628749 0.86 ALDH1A1 (0.64) ABCB1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL11614404 0.80 ALDH1A1 (0.70) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL2999532 0.79 LMNA (0.77) ABCB1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL433401 0.79 CCNB2 (0.72) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL29537861 0.79 CCNB2 (0.72) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL27679877 0.78 ALDH1A1 (0.53) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL1311076 0.78 HDAC8 (0.65) ABCB1ALDH1A1HTTLMNACYP1A2
SCHEMBL2573994 0.78 TUBB1 (0.57) ABCB1ALDH1A1TDP1TUBB1CCNB2

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 5 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-20160280677-A1 A PROCESS FOR THE SYNTHESIS OF OLOPATADINE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-09-29 US disclosed
WO-2014147647-A1 A PROCESS FOR THE SYNTHESIS OF OLOPATADINE COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-09-25 WO disclosed
US-6225352-B1 USEFUL AS AGENTS IN THE TREATMENT OF CANCER, ALZHEIMERS DISEASE, THROMBOSIS, INFLAMMATORY DISEASES, AND BACTERIAL RESISTANCE WARNER-LAMBERT COMPANY 2001-05-01 US disclosed
WO-1998006691-A2 LOW MOLECULAR WEIGHT DENDRITIC COMPOUNDS AS PHARMACEUTICAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-02-19 WO 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 ABCB1 1689/4885ALDH1A1 1045/4885HPGD 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.