SCHEMBL3680164

SCHEMBL3680164

CC(C)(C)c1ccc(-c2cc3c(cc2-c2ccc(C(C)(C)C)cc2)C(C)(C)c2cc(-c4ccc(C(C)(C)C)cc4)c(-c4ccc(C(C)(C)C)cc4)cc2C3(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DGAT1 O75907 2/20 0.40
TSHR P16473 1/20 0.39
TYR P14679 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MITF O75030 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
S1PR1 P21453 1/20 0.36
GCGR P47871 1/20 0.35
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL311736 0.78 KIF11 (0.48) KIF11NPC1RAB9ALMNATP53
SCHEMBL12177736 0.76 NPC1 (0.47) NPC1RAB9ALMNATP53SMN1; SMN2
SCHEMBL27285265 0.76 KIF11 (0.41) KIF11NPC1RAB9ALMNATP53
SCHEMBL23432313 0.75 NPC1 (0.49) KIF11NPC1RAB9ALMNATP53
SCHEMBL29911234 0.75 NPC1 (0.49) KIF11NPC1RAB9ALMNATP53
SCHEMBL12177748 0.74 ALDH1A1 (0.42) KIF11NPC1RAB9AALDH1A1AKR1C2
SCHEMBL21970457 0.74 ALDH1A1 (0.44) KIF11NPC1RAB9ALMNASMN1; SMN2
SCHEMBL12721328 0.74 PTGS2 (0.44) ALDH1A1KMT2AGCGR
SCHEMBL3675708 0.74 ALDH1A1 (0.41) ALDH1A1HSD17B10TDP1
SCHEMBL10045389 0.73 KIF11 (0.35) KIF11SMN1; SMN2ALDH1A1KMT2AKDM4E

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-7671241-B2 Host material for blue OLED and white light emitting device utilizing the same NATIONAL TSING HUA UNIVERSITY (TW) 2010-03-02 US disclosed
US-20090062570-A1 Host material for blue OLED and white light emitting device utilizing the same CHIEN-HONG CHENG 2009-03-05 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-20090062570-A1 Host material for blue OLED and white light emitting device utilizing the same OCIAD2, OCIAD1, CRY2 KIF11 1922/4885NPC1 889/4885RAB9A 528/4885

“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.