SCHEMBL753617

SCHEMBL753617

c1ccc2cc3c(cc2c1)sc1cc2c(cc13)sc1c3ccccc3sc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
ALDH1A1 P00352 8/20 0.43
MAPT P10636 7/20 0.43
RAB9A P51151 5/20 0.43
HPGD P15428 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 4/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ATM Q13315 1/20 0.36
NPC1 O15118 2/20 0.36
ALOX15 P16050 2/20 0.35
PTPN7 P35236 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN12 Q05209 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL753419 0.96 GPR3 (0.43) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL16857415 0.94 GPR3 (0.46) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL14925146 0.93 GPR3 (0.48) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL17037115 0.91 GPR3 (0.43) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL23916959 0.88 GPR3 (0.61) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL17228832 0.88 GPR3 (0.61) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL16978712 0.88 GPR3 (0.48) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL24068028 0.88 GPR3 (0.61) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL755934 0.88 ALDH1A1 (0.37) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL14925153 0.86 GPR3 (0.64) GPR3ALDH1A1MAPTRAB9AHPGD

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 GPR3 3625/4885ALDH1A1 2196/4885MAPT 1194/4885

“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.