SCHEMBL4955121

SCHEMBL4955121

CC(C)Nn1ccc2c(N)cccc21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2C P28335 3/20 0.34
HTR2A P28223 2/20 0.34
KEAP1 Q14145 1/20 0.31
PIK3CA P42336 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
HTR6 P50406 1/20 0.30

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
SCHEMBL4949684 0.80 CYP3A4 (0.39) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL4951512 0.79 HTR2C (0.43) TSHRHPGDHSD17B10TDP1HTR2C
SCHEMBL4952821 0.76 CYP3A4 (0.35) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL4956148 0.75
SCHEMBL13773249 0.73 CYP3A4 (0.39) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL4955594 0.72 HTR2A (0.33) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL4949260 0.72 SLC6A2 (0.42) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL4953258 0.70 PRKCI (0.34) HTR2CHTR2A
SCHEMBL4954079 0.70 PDCD1 (0.34) CYP3A4TSHRALDH1A1HPGDHSD17B10
SCHEMBL4954264 0.70 MKNK1 (0.44) CYP3A4TSHRALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US claimed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 US claimed
US-7371264-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-05-13 US disclosed
US-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 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-20060042026-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, KDM5C CYP3A4 372/4885TSHR 4818/4885ALDH1A1 510/4885

“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.