SCHEMBL5069115

SCHEMBL5069115

COc1ccc(CNCCc2ccc(O)cc2)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.76
CA12 O43570 1/20 0.65
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
CA4 P22748 1/20 0.65
CA9 Q16790 1/20 0.65
KDM4E B2RXH2 3/20 0.64
POLB P06746 1/20 0.64
ALDH1A1 P00352 3/20 0.64
LMNA P02545 2/20 0.64
CYP3A4 P08684 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
SLC22A1 O15245 1/20 0.64
ADRB2 P07550 1/20 0.64
CHRM2 P08172 1/20 0.64
ADRB1 P08588 1/20 0.64
CHRM1 P11229 1/20 0.64
TSHR P16473 1/20 0.64
NFKB1 P19838 1/20 0.64
SLC6A4 P31645 1/20 0.64

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
SCHEMBL30213077 0.90 BCHE (0.67) BCHECA12CA1CA2CA4
SCHEMBL1719403 0.90 BCHE (0.67) BCHECA12CA1CA2CA4
SCHEMBL19532621 0.87 BCHE (1.00) BCHEKDM4EALDH1A1LMNACYP3A4
SCHEMBL19532590 0.87 BCHE (0.71) BCHECA12CA1CA2CA4
SCHEMBL19532591 0.87 BCHE (1.00) BCHEKDM4EALDH1A1LMNACYP3A4
SCHEMBL19532620 0.87 BCHE (0.71) BCHECA12CA1CA2CA4
SCHEMBL5031143 0.86 BCHE (0.74) BCHECA12CA1CA2CA4
SCHEMBL9073446 0.85 KDM4E (0.64) BCHECA12CA1CA2CA4
SCHEMBL7714458 0.85 BCHE (0.61) BCHECA12CA1CA2CA4
SCHEMBL31606732 0.84 KDM4E (0.75) CA12CA1CA2CA4CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414778-B2 Methods for treatment of resistant cancer NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION (US) 2019-09-17 US disclosed
WO-2017189834-A1 METHODS FOR TREATMENT OF RESISTANT CANCER NEW MEXICO TECH RESEARCH FOUNDATION (US) 2017-11-02 WO disclosed
US-20170313720-A1 METHODS FOR TREATMENT OF RESISTANT CANCER NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2017-11-02 US disclosed
US-7432228-B2 Inhibitor against biosynthesis of abscisic acid RIKEN (JP) 2008-10-07 US disclosed
US-7098365-B2 Abscisic acid biosynthesis inhibitor RIKEN (JP) 2006-08-29 US disclosed
US-20060148650-A1 Inhibitor against biosynthesis of abscisic acid RIKEN (JP) 2006-07-06 US disclosed
US-20050014651-A1 Abscisic acid biosynthesis inhibitor RIKEN (JP) 2005-01-20 US disclosed
EP-1439165-A1 ABSCISIC ACID BIOSYNTHESIS INHIBITOR Riken (JP) 2004-07-21 EP 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 (4 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-20060148650-A1 Inhibitor against biosynthesis of abscisic acid COASY, BLVRB, ME1 BCHE 2262/4885CA12 3926/4885CA1 3294/4885
US-20170313720-A1 METHODS FOR TREATMENT OF RESISTANT CANCER MKI67, TP53, TOP2A BCHE 2358/4885CA12 1123/4885CA1 1697/4885
US-20050014651-A1 Abscisic acid biosynthesis inhibitor COASY, BLVRB, ME1 BCHE 2198/4885CA12 3213/4885CA1 2434/4885
US-10414778-B2 Methods for treatment of resistant cancer MKI67, TP53, TOP2A BCHE 2358/4885CA12 1123/4885CA1 1697/4885

“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.