SCHEMBL13105857

SCHEMBL13105857

CC(C)(C)c1ccc(-c2ccc(-c3nc4sc(-c5ccc(-c6ccc(C(C)(C)C)cc6)s5)nc4s3)s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ APP P05067 5/20 0.40
▸ KIF11 P52732 2/20 0.40
▸ MAPT P10636 1/20 0.38
▸ FLT3 P36888 1/20 0.37
▸ XDH P47989 1/20 0.37
▸ PRKDC P78527 1/20 0.36
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ WRN Q14191 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
SCHEMBL13801076 0.83 TNF (0.59) TNFNOD1NPC1RAB9AKDM4E
SCHEMBL19735284 0.83 APP (0.48) TNFNOD1NPC1RAB9AKDM4E
SCHEMBL26502567 0.83 KIF11 (0.41) NPC1RAB9AKDM4EAPPKIF11
SCHEMBL26500137 0.80 NPBWR1 (0.39) NPC1RAB9AKDM4EAPPKIF11
SCHEMBL26500172 0.77 HSD17B1 (0.47) NPC1RAB9AKDM4EAPPMAPT
SCHEMBL10301434 0.76 HSD17B1 (0.47) NPC1RAB9AKDM4EAPPMAPT
SCHEMBL17994290 0.76 HSD17B1 (0.52) TNFNOD1NPC1RAB9AKDM4E
SCHEMBL1622295 0.76 KIF11 (0.47) TNFNOD1NPC1RAB9AKDM4E
SCHEMBL26500204 0.75 HSD17B1 (0.46) NPC1RAB9AKDM4EAPPMAPT
SCHEMBL27961851 0.74 APP (0.41) TNFNOD1NPC1RAB9AKDM4E

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-7812172-B2 Charge transport materials; for organic electronic devices such as organic photoreceptors, organic electroluminescence devices, organic transistors, and organic optical memories FUJI XEROX CO., LTD. (JP) 2010-10-12 — — US disclosed
US-7812172-B2 Charge transport materials; for organic electronic devices such as organic photoreceptors, organic electroluminescence devices, organic transistors, and organic optical memories FUJI XEROX CO., LTD. (JP) 2010-10-12 — — US disclosed
US-20100137611-A1 THIAZOLOTHIAZOLE DERIVATIVE FUJI XEROX CO., LTD. (JP) 2010-06-03 — — US disclosed
US-20100137611-A1 THIAZOLOTHIAZOLE DERIVATIVE FUJI XEROX CO., LTD. (JP) 2010-06-03 — — 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-20100137611-A1 THIAZOLOTHIAZOLE DERIVATIVE BCAT1, ABAT, BCAT2 TNF 2822/4885NOD1 1329/4885NPC1 969/4885

“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.

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