SCHEMBL13629283

SCHEMBL13629283

CCCCc1ccc2[nH]c3c(c2c1)CCCC3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.61
KMT2A Q03164 11/20 0.61
MEN1 O00255 10/20 0.61
SMN1; SMN2 Q16637 6/20 0.61
POLB P06746 1/20 0.61
ALDH1A1 P00352 7/20 0.59
KDM4E B2RXH2 4/20 0.59
USP2 O75604 1/20 0.59
HSP90AA1 P07900 1/20 0.59
HSP90AB1 P08238 1/20 0.59
ALOX15 P16050 1/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
HSD17B10 Q99714 1/20 0.59
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 5/20 0.49
TP53 P04637 4/20 0.49
HPGD P15428 2/20 0.49
CASP6 P55212 1/20 0.49

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
SCHEMBL11970897 0.91 MAPT (0.61) MAPTKMT2AMEN1SMN1; SMN2POLB
SCHEMBL13362016 0.84 KMT2A (0.64) MAPTKMT2AMEN1SMN1; SMN2POLB
SCHEMBL11955042 0.81 KMT2A (0.56) MAPTKMT2AMEN1SMN1; SMN2POLB
SCHEMBL31108179 0.79 HTR1A (0.54) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL4323287 0.79 HTR1A (0.54) MAPTKMT2AMEN1ALDH1A1KDM4E
SCHEMBL10289639 0.75 MAPT (0.55) MAPTKMT2AMEN1SMN1; SMN2POLB
Propane SCHEMBL28181810 0.74 KDM4E (0.65) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2515756 0.74 MAPT (0.60) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL29292795 0.74 KMT2A (0.62) MAPTKMT2AMEN1SMN1; SMN2POLB
SCHEMBL532789 0.74 HTR1A (0.55) MAPTKMT2AMEN1ALDH1A1KDM4E

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-8343636-B2 Crosslinkable hole-transporting materials for organic light-emitting devices UNIVERSITY OF WASHINGTON (US) 2013-01-01 US disclosed
US-20090278445-A1 CROSSLINKABLE HOLE-TRANSPORTING MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES WASHINGTON, UNIVERSITY OF (US) 2009-11-12 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-20090278445-A1 CROSSLINKABLE HOLE-TRANSPORTING MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES SUN2, HTT, SLC29A1 MAPT 156/4885KMT2A 2704/4885MEN1 2670/4885

“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.