SCHEMBL17734992

SCHEMBL17734992

Cc1ccc(N(c2ccc(-c3ccc(N(c4ccc(C)cc4)c4c(C)cccc4-c4ccc5ccccc5c4)c(C)c3)cc2C)c2c(C)cccc2-c2ccc3ccccc3c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2A6 P11509 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
GSTP1 P09211 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
CTRC Q99895 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
SCHEMBL17735014 0.95 CTSD (0.37) CTSDBACE1GSTP1SLC6A2SLC6A4
SCHEMBL17734997 0.93 HSD17B1 (0.36) CTSDBACE1GSTP1SLC6A2SLC6A4
SCHEMBL17735009 0.93 HSD17B1 (0.36) CTSDBACE1GSTP1SLC6A2SLC6A4
SCHEMBL17734990 0.93 CTSD (0.37) CTSDBACE1GSTP1SLC6A2SLC6A4
SCHEMBL17734987 0.93 CTSD (0.37) CTSDBACE1HTTNPSR1L3MBTL1
SCHEMBL17735001 0.92 HSD17B1 (0.35) CTSDBACE1GSTP1SLC6A2SLC6A4
SCHEMBL17734837 0.90 HSD17B1 (0.36) CTSDBACE1GSTP1SLC6A2SLC6A4
SCHEMBL17735017 0.90 CA12 (0.37) CYP1A2ALDH1A1CYP2C9HPGDHSD17B10
SCHEMBL17735025 0.89 CA12 (0.34) CYP1A2ALDH1A1HPGDHSD17B10CTSD
SCHEMBL17735030 0.88 ALDH1A1 (0.35) CYP1A2ALDH1A1HPGDTSHRHSD17B10

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-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 US disclosed
US-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-05-12 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-20160133847-A1 AROMATIC AMINE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT ELEMENT ARL1, CCNL2, APOL1 CYP1A2 480/4885ALDH1A1 466/4885CYP3A4 1604/4885

“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.