SCHEMBL10068407

SCHEMBL10068407

O=C1c2ccccc2C(=O)c2oc(-c3ccccc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
STAT3 P40763 2/20 0.53
USP1 O94782 1/20 0.47
USP19 O94966 1/20 0.47
WDR48 Q8TAF3 1/20 0.47
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
CDC25B P30305 1/20 0.44
PDE4A P27815 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 3/20 0.43
CYP3A4 P08684 3/20 0.43
HPGD P15428 3/20 0.43
CYP1B1 Q16678 3/20 0.43
AR P10275 3/20 0.43
GABRP O00591 2/20 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
SCHEMBL10068413 0.89 STAT3 (0.51) ALDH1A1STAT3USP1USP19WDR48
SCHEMBL10037446 0.81 STAT3 (0.60) ALDH1A1STAT3KDM4EPOLBMEN1
SCHEMBL28705 0.73 STAT3 (0.56) ALDH1A1STAT3USP1USP19WDR48
SCHEMBL6577994 0.73 STAT3 (0.61) ALDH1A1STAT3KDM4EPOLBMEN1
SCHEMBL16167166 0.73 STAT3 (0.56) ALDH1A1STAT3USP1USP19WDR48
SCHEMBL12640087 0.73 STAT3 (0.75) ALDH1A1STAT3KDM4EPOLBMEN1
Flavone SCHEMBL27994354 0.73 TNKS (0.84) KDM4EPOLBSMN1; SMN2NPC1RAB9A
Anthraquinone SCHEMBL27901882 0.73 MEN1 (0.67) ALDH1A1KDM4EPOLBMEN1KMT2A
Anthraquinone SCHEMBL27283959 0.72 MEN1 (0.75) ALDH1A1KDM4EPOLBMEN1KMT2A
SCHEMBL19669614 0.72 STAT3 (0.59) ALDH1A1STAT3USP1USP19WDR48

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
EP-2436669-B1 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO LTD (JP) 2016-01-13 EP disclosed
US-8703979-B2 Preparation of anticancer-active tricyclic compounds via alkyne coupling reaction TAHEEBO JAPAN CO., LTD. (JP) 2014-04-22 US disclosed
US-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION TAHEEBO JAPAN CO., LTD. (JP) 2012-03-29 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-20120077986-A1 NOVEL PREPARATION OF ANTICANCER-ACTIVE TRICYCLIC COMPOUNDS VIA ALKYNE COUPLING REACTION NR2C2, NR0B2, NR4A2 ALDH1A1 862/4885STAT3 1855/4885USP1 3388/4885

“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.