SCHEMBL12306752

SCHEMBL12306752

c1ccc(-c2nnc(-c3ccccc3)n2-c2ccc(-c3cccc(-c4ccc(-n5c(-c6ccccc6)nnc5-c5ccccc5)cc4)c3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.62
OXTR P30559 1/20 0.55
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
GLA P06280 1/20 0.54
KDM4E B2RXH2 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 2/20 0.50
OPRD1 P41143 2/20 0.49
MEN1 O00255 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL18999352 0.94 AVPR1A (0.65) AVPR1AOXTRHPGDSMN1; SMN2ALDH1A1
SCHEMBL28320964 0.92 AVPR1A (0.71) AVPR1AOXTRHPGDSMN1; SMN2ALDH1A1
SCHEMBL4402535 0.88 AVPR1A (0.78) AVPR1AOXTRHPGDSMN1; SMN2ALDH1A1
SCHEMBL8339889 0.88 AVPR1A (0.78) AVPR1AOXTRHPGDSMN1; SMN2ALDH1A1
SCHEMBL12306755 0.86 ALDH1A1 (0.56) AVPR1AHPGDSMN1; SMN2ALDH1A1LMNA
SCHEMBL10110956 0.86 AVPR1A (0.53) AVPR1AOXTRHPGDSMN1; SMN2ALDH1A1
SCHEMBL16302961 0.86 AVPR1A (0.56) AVPR1AOXTRHPGDSMN1; SMN2ALDH1A1
SCHEMBL4402513 0.86 AVPR1A (0.63) AVPR1AOXTRHPGDSMN1; SMN2ALDH1A1
SCHEMBL10111105 0.85 KDM4E (0.50) AVPR1AOXTRHPGDSMN1; SMN2ALDH1A1
SCHEMBL18999389 0.85 SMN1; SMN2 (0.56) AVPR1AOXTRHPGDSMN1; SMN2ALDH1A1

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-8475939-B2 m-terphenyl compound derivatives and application for organic light emitting diode NATIONAL TSING HUA UNIVERSITY (TW) 2013-07-02 US disclosed
US-8475939-B2 m-terphenyl compound derivatives and application for organic light emitting diode NATIONAL TSING HUA UNIVERSITY (TW) 2013-07-02 US disclosed
US-20110220880-A1 m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE E INK HOLDINGS INC. (TW) 2011-09-15 US disclosed
US-20110220880-A1 m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE E INK HOLDINGS INC. (TW) 2011-09-15 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-20110220880-A1 m-TERPHENYL COMPOUND DERIVATIVES AND APPLICATION FOR ORGANIC LIGHT EMITTING DIODE CLTB, CYBA, C5 AVPR1A 3423/4885OXTR 890/4885HPGD 3461/4885

“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.