SCHEMBL17521828

SCHEMBL17521828

Cn1c2cc3c4ccc5cc(-c6ccccc6)ccc5c4n(C)c3cc2c2ccc3cc(-c4ccccc4)ccc3c21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.51
▸ LIMK1 P53667 1/20 0.48
▸ ESR1 P03372 4/20 0.42
▸ ESR2 Q92731 4/20 0.42
▸ CYP1A2 P05177 2/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ HSD17B1 P14061 2/20 0.41
▸ CYP2B6 P20813 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HSD17B2 P37059 2/20 0.41
▸ RXRA P19793 1/20 0.40
▸ RXRB P28702 1/20 0.40
▸ GPR84 Q9NQS5 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ AXL P30530 1/20 0.36

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
SCHEMBL17521811 0.90 MAOB (0.51) MAOBLIMK1ESR1ESR2RXRA
SCHEMBL17521812 0.89 MAOB (0.48) MAOBLIMK1RXRARXRBMAOA
SCHEMBL13564064 0.84 MAOB (0.62) MAOBLIMK1RXRARXRBMAOA
SCHEMBL13562256 0.84 RXRA (0.47) MAOBLIMK1ESR1ESR2CYP1A2
SCHEMBL23348108 0.84 MAOB (0.46) MAOBLIMK1RXRARXRBKMT2A
SCHEMBL22310736 0.83 LIMK1 (0.46) MAOBLIMK1ESR1ESR2AXL
SCHEMBL17521802 0.82 MAOB (0.38) MAOBLIMK1ESR1ESR2HSD17B1
SCHEMBL13563043 0.82 MAOB (0.44) MAOBLIMK1ESR1ESR2CYP1A2
SCHEMBL13563047 0.81 MAOB (0.52) MAOBLIMK1RXRARXRBMAOA
SCHEMBL17521790 0.81 PRNP (0.45) CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9512131-B2 Organic semiconductor material for organic transistor, and organic transistor element NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-12-06 — — US disclosed
US-20160049594-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ORGANIC TRANSISTOR, AND ORGANIC TRANSISTOR ELEMENT NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2016-02-18 — — 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-20160049594-A1 ORGANIC SEMICONDUCTOR MATERIAL FOR ORGANIC TRANSISTOR, AND ORGANIC TRANSISTOR ELEMENT SLC43A1, ALKBH3, TPR MAOB 45/4885LIMK1 2809/4885ESR1 1231/4885

“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.

Send feedback