SCHEMBL17239835

SCHEMBL17239835

COc1cc(-c2ccc(C#N)cc2)c(-c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 3/20 0.51
▸ KDM1A O60341 1/20 0.50
▸ AR P10275 3/20 0.47
▸ KIT P10721 1/20 0.47
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1B1 Q16678 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ ACLY P53396 1/20 0.43
▸ FYN P06241 1/20 0.43
▸ PRKCZ Q05513 1/20 0.43
▸ KIF11 P52732 1/20 0.42
▸ MAPKAPK2 P49137 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ PRKDC P78527 1/20 0.42
▸ MMP3 P08254 1/20 0.42

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
SCHEMBL17239827 0.91 SQOR (0.50) CHEK1KDM1AARKITCYP1A1
SCHEMBL1436484 0.81 FYN (0.56) KDM1AARACLYFYN
SCHEMBL14499523 0.80 KDM1A (0.45) CHEK1KDM1AARKITCYP1A1
SCHEMBL20282446 0.79 ABL1 (0.53) KDM1ACYP1A1CYP1B1MAPKAPK2
SCHEMBL28363455 0.79 CYP1A1 (0.53) KDM1ACYP1A1CYP1B1MAPKAPK2
SCHEMBL24476966 0.79 KDM1A (0.53) KDM1AARKITFYN
SCHEMBL27440272 0.79 CYP1A1 (0.47) CHEK1KDM1AKITCYP1A1CYP1B1
SCHEMBL15577622 0.79 CHEK1 (0.48) CHEK1KDM1AKITCYP1A1CYP1B1
SCHEMBL7283631 0.78 KDM1A (0.46) CHEK1KDM1AARKITCYP1A1
SCHEMBL30870706 0.78 KIT (0.46) CHEK1KDM1AARKITCYP1A1

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-9695135-B2 Therapeutic catechols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-04 — — US disclosed
US-9695135-B2 Therapeutic catechols RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-07-04 — — US disclosed
US-20150322022-A1 THERAPEUTIC CATECHOLS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-11-12 — — US disclosed
US-20150322022-A1 THERAPEUTIC CATECHOLS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2015-11-12 — — 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-20150322022-A1 THERAPEUTIC CATECHOLS COMT, SARS1, C5AR1 CHEK1 2236/4885KDM1A 485/4885AR 749/4885

“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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