SCHEMBL10002175

SCHEMBL10002175

CC(C)(C)c1ccc(-c2cc(-c3ccc(C(C)(C)C)cc3)cc(-c3ccc(C(C)(C)C)c(N)c3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.43
KIF11 P52732 5/20 0.42
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
MITF O75030 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
ASIC1 P78348 1/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
DGAT1 O75907 1/20 0.37
S1PR1 P21453 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
SCHEMBL10002173 0.96 KIF11 (0.45) DHODHKIF11NPC1RAB9AKMT2A
SCHEMBL24495643 0.81 MAPT (0.52) KIF11KMT2AALDH1A1MEN1MAPT
SCHEMBL18199870 0.80 KMT2A (0.61) KIF11NPC1RAB9AKMT2AALDH1A1
SCHEMBL297275 0.80 ALDH1A1 (0.59) KIF11NPC1RAB9AKMT2AALDH1A1
SCHEMBL4322427 0.79 KIF11 (0.61) DHODHKIF11NPC1RAB9AKMT2A
SCHEMBL23319641 0.79 KIF11 (0.61) DHODHKIF11NPC1RAB9AKMT2A
SCHEMBL25515089 0.78 KIF11 (0.50) DHODHKIF11NPC1RAB9AKMT2A
SCHEMBL23040384 0.77 KIF11 (0.45) KIF11NPC1RAB9AKMT2AALDH1A1
SCHEMBL19585564 0.73 DHODH (0.56) DHODHKIF11KMT2AALDH1A1MEN1
SCHEMBL14666784 0.73 AKR1C2 (0.49) DHODHKIF11NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120016146-A1 POROUS CRYSTAL COMPRISING AMMONIA BORANE AND A PRODUCTION METHOD THEREFOR INSILICOTECH CO., LTD (KR) 2012-01-19 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-20120016146-A1 POROUS CRYSTAL COMPRISING AMMONIA BORANE AND A PRODUCTION METHOD THEREFOR FAR1, GOT1, WEE1 DHODH 2192/4885KIF11 1384/4885NPC1 517/4885

“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.