SCHEMBL19196312

SCHEMBL19196312

Cc1ccc2cc(/C=C/C(=O)c3ccccc3)c(=O)oc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 4/20 0.49
▸ HPGD P15428 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CDC25A P30304 2/20 0.47
▸ CDC25C P30307 2/20 0.47
▸ LMNA P02545 3/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ CYP1B1 Q16678 1/20 0.46
▸ MIF P14174 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.44
▸ MAOB P27338 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ CRHBP P24387 1/20 0.44
▸ CRHR2 Q13324 1/20 0.44
▸ MAOA P21397 1/20 0.43

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
SCHEMBL19196064 0.91 MIF (0.45) MAPTALDH1A1HPGDCDC25ALMNA
SCHEMBL22331115 0.87 CDC25A (0.62) MAPTALDH1A1HPGDCYP3A4CDC25A
SCHEMBL22331118 0.87 CDC25A (0.62) MAPTALDH1A1HPGDCYP3A4CDC25A
SCHEMBL19196313 0.84 MAPT (0.58) MAPTALDH1A1CYP3A4LMNAKDM4E
SCHEMBL17037974 0.83 HSD11B1 (0.47) MAPTALDH1A1HPGDCYP3A4KDM4E
SCHEMBL17525289 0.82 MAOB (0.64) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL19196314 0.80 MAOB (0.42) MAPTALDH1A1CYP3A4MEN1KMT2A
SCHEMBL19196345 0.79 ALDH1A1 (0.46) MAPTALDH1A1HPGDLMNAKDM4E
SCHEMBL19196315 0.75 MAOB (0.45) MAPTALDH1A1HPGDKDM4EMEN1
SCHEMBL12611517 0.75 ALDH1A1 (0.72) ALDH1A1HPGDLMNAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS BAYLOR COLLEGE OF MEDICINE (US) 2017-08-03 — — 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-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS SQOR, TXN2, TXNRD1 MAPT 1297/4885ALDH1A1 533/4885HPGD 863/4885

“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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