SCHEMBL1176733

SCHEMBL1176733

CC(=O)Nc1ccc(C(C)(C)C)c2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.60
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PKM P14618 1/20 0.46
PARP14 Q460N5 2/20 0.46
EPHX1 P07099 1/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL1176732 0.85 RXFP1 (0.42) RXFP1KMT2AALDH1A1KDM4EEPHX1
SCHEMBL1176527 0.84 RXFP1 (0.62) RXFP1KMT2AALDH1A1HPGDKDM4E
SCHEMBL1177208 0.80 RXFP1 (0.57) RXFP1KMT2AALDH1A1HPGDKDM4E
SCHEMBL29382911 0.78 ALDH1A1 (0.57) KMT2AALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL631133 0.78 ALDH1A1 (0.57) KMT2AALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL1900214 0.77 RXFP1 (0.66) RXFP1KMT2AALDH1A1HPGDKDM4E
SCHEMBL13483433 0.77 RXFP1 (0.66) RXFP1KMT2AALDH1A1HPGDKDM4E
SCHEMBL1803952 0.77 RXFP1 (0.66) RXFP1KMT2AALDH1A1HPGDKDM4E
SCHEMBL590479 0.77 RXFP1 (0.66) RXFP1KMT2AKDM4EMAPTPOLB
SCHEMBL6814392 0.75 RXFP1 (0.64) RXFP1KMT2AALDH1A1HPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110045397-A1 CHARGE CONTROL AGENT AND RELATED ART KURODA KAZUYOSHI 2011-02-24 US disclosed
US-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 2009-02-26 US disclosed
EP-1862860-A1 CHARGE CONTROL AGENT AND RELATED TECHNIQUE Orient Chemical Industries, Ltd. (JP) 2007-12-05 EP 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-20090053641-A1 CHARGE CONTROL AGENT AND RELATED ART H1-4, CECR2, DOT1L RXFP1 3382/4885KMT2A 257/4885ALDH1A1 4240/4885

“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.