SCHEMBL18216910

SCHEMBL18216910

Cc1nc(-c2ccc(C(C)(C)C)cc2)cc(-c2ccc(C(C)(C)C)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 2/20 0.47
KIF11 P52732 3/20 0.47
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.43
TNF P01375 1/20 0.42
NOD1 Q9Y239 1/20 0.42
TDO2 P48775 1/20 0.41
KMT2A Q03164 3/20 0.41
MITF O75030 1/20 0.41
TP53 P04637 1/20 0.41
CXCL12 P48061 1/20 0.41
MEN1 O00255 2/20 0.40

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
SCHEMBL1013065 0.87 ALDH1A1 (0.42) ALDH1A1NPC1RAB9AMAPTNPSR1
SCHEMBL1012879 0.87 KIF11 (0.44) ALDH1A1NPC1RAB9AMAPTNPSR1
SCHEMBL11976575 0.82 TSHR (0.56) ALDH1A1NPC1RAB9AMAPTNPSR1
SCHEMBL11976556 0.82 TSHR (0.56) ALDH1A1NPC1RAB9AMAPTNPSR1
SCHEMBL3624341 0.82 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMAPTNPSR1
SCHEMBL13830966 0.79 ALDH1A1 (0.55) ALDH1A1NPC1RAB9AMAPTNPSR1
SCHEMBL15745465 0.79 MEN1 (0.59) ALDH1A1NPC1RAB9AMAPTNPSR1
SCHEMBL15745467 0.79 MEN1 (0.59) ALDH1A1NPC1RAB9AMAPTNPSR1
SCHEMBL15158531 0.79 NPC1 (0.48) ALDH1A1NPC1RAB9AMAPTNPSR1
SCHEMBL12264966 0.78 MAPT (0.59) ALDH1A1NPC1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3222625-A1 METAL COMPLEX AND LIGHT-EMITTING ELEMENT USING SAME Sumitomo Chemical Company, Limited (JP) 2017-09-27 EP disclosed
US-20170256726-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-07 US disclosed
US-20170256726-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-07 US disclosed
EP-3093292-A1 METAL COMPLEX AND LIGHT EMITTING ELEMENT USING SAME Sumitomo Chemical Company, Limited (JP) 2016-11-16 EP disclosed
US-20160329508-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-11-10 US disclosed
US-20160329508-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-11-10 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 (2 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-20170256726-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE USING THE SAME XPA, CRY1, SOD1 ALDH1A1 3727/4885NPC1 4369/4885RAB9A 2208/4885
US-20160329508-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE USING THE SAME NR2E3, SCO2, NR0B2 ALDH1A1 1515/4885NPC1 4466/4885RAB9A 3323/4885

“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.