SCHEMBL755299

SCHEMBL755299

c1ccc(-c2ccc3c(c2)sc2cc4c(cc23)sc2cc3cc5ccccc5cc3cc24)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.41
PI4KA P42356 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
LIMK1 P53667 1/20 0.41
F9 P00740 2/20 0.39
ESR1 P03372 5/20 0.37
ESR2 Q92731 5/20 0.37
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHFR P00374 1/20 0.35
PIK3CG P48736 1/20 0.35
PIM3 Q86V86 1/20 0.35
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL17356256 0.92 ESR1 (0.46) PIK3CAPI4KAPI4KBLIMK1F9
SCHEMBL17356249 0.92 ESR1 (0.46) PIK3CAPI4KAPI4KBLIMK1F9
SCHEMBL17356248 0.92 ESR1 (0.46) PIK3CAPI4KAPI4KBLIMK1F9
SCHEMBL17523405 0.91 ALDH1A1 (0.41) PIK3CAPI4KAPI4KBLIMK1F9
SCHEMBL17356230 0.89 ALDH1A1 (0.42) PIK3CAPI4KAPI4KBLIMK1F9
SCHEMBL19082215 0.89 ESR1 (0.44) PIK3CAPI4KAPI4KBLIMK1F9
SCHEMBL752669 0.89 CYP2A6 (0.35) PIK3CAPI4KAPI4KBLIMK1ESR1
SCHEMBL16024692 0.88 ESR1 (0.48) PIK3CAPI4KAPI4KBLIMK1F9
SCHEMBL20342355 0.88 ESR1 (0.48) PIK3CAPI4KAPI4KBLIMK1F9
SCHEMBL15223465 0.88 ESR1 (0.48) PIK3CAPI4KAPI4KBLIMK1F9

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-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 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-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME AS3MT, TERT, TEAD1 PIK3CA 1767/4885PI4KA 1698/4885PI4KB 3101/4885

“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.