SCHEMBL17525313

SCHEMBL17525313

CCN(CC)c1ccc2cc(/C=C/C(=O)c3ccc(C(=O)O)cc3Br)c(=O)oc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.55
▸ KDM4E B2RXH2 7/20 0.55
▸ HPGD P15428 4/20 0.55
▸ SMN1; SMN2 Q16637 4/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ SLC16A3 O15427 2/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ SLC16A1 P53985 1/20 0.55
▸ MAPT P10636 9/20 0.53
▸ MEN1 O00255 9/20 0.53
▸ KMT2A Q03164 9/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ MAOB P27338 3/20 0.51
▸ ATM Q13315 3/20 0.50
▸ USP2 O75604 3/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ CYP19A1 P11511 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ TP53 P04637 1/20 0.46

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
SCHEMBL19203422 0.90 MEN1 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL17525293 0.87 MAPT (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL17525296 0.86 MAOB (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL19196314 0.84 MAOB (0.42) ALDH1A1MAPTMEN1KMT2AMAOB
SCHEMBL17525289 0.82 MAOB (0.64) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL29169476 0.81 MEN1 (0.69) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL29169445 0.81 MEN1 (0.69) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL30782952 0.81 MEN1 (0.69) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL28405651 0.80 ALDH1A1 (0.67) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10
SCHEMBL17525290 0.80 MAPT (0.58) ALDH1A1KDM4EHPGDSMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10921327-B2 Probes for quantitative imaging of thiols in various environments BAYLOR COLLEGE OF MEDICINE (US) 2021-02-16 — — US disclosed
US-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS BAYLOR COLLEGE OF MEDICINE (US) 2017-08-03 — — US disclosed
WO-2016025382-A2 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS BAYLOR COLLEGE OF MEDICINE (US) 2016-02-18 — — 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 (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-10921327-B2 Probes for quantitative imaging of thiols in various environments SQOR, TXN2, TXNRD1 ALDH1A1 533/4885KDM4E 3799/4885HPGD 863/4885
US-20170219599-A1 PROBES FOR QUANTITATIVE IMAGING OF THIOLS IN VARIOUS ENVIRONMENTS SQOR, TXN2, TXNRD1 ALDH1A1 533/4885KDM4E 3799/4885HPGD 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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