SCHEMBL17699260

SCHEMBL17699260

COc1cccc(NCCc2ccccc2O)n1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MPO P05164 5/20 0.45
MTNR1A P48039 7/20 0.42
MTNR1B P49286 7/20 0.42
HDAC1 Q13547 1/20 0.41
PTGDR Q13258 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2040677 0.86 NPSR1 (0.67) NPSR1HSD17B10MPOHDAC1MEN1
SCHEMBL17699257 0.83 PTGDR (0.42) NPSR1HSD17B10MPOMTNR1AMTNR1B
SCHEMBL17699259 0.76 MTNR1A (0.42) NPSR1MPOMTNR1AMTNR1BPTGDR
SCHEMBL11001236 0.76 GRM5 (0.48) HDAC1ALDH1A1
SCHEMBL13506675 0.75 HTR2A (0.45) MPOPTGDRMEN1KMT2AHTR2A
SCHEMBL21894334 0.74 CYP1A2 (0.47) HSD17B10HDAC1ALDH1A1
SCHEMBL2040233 0.73 NPSR1 (0.50) NPSR1HSD17B10HDAC1MEN1KMT2A
SCHEMBL2042859 0.72 NPSR1 (0.63) NPSR1HSD17B10MEN1KMT2AALDH1A1
SCHEMBL2046992 0.72 NPSR1 (0.50) NPSR1HSD17B10HDAC1MEN1KMT2A
SCHEMBL8348068 0.72 GRM5 (0.50) HDAC1

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-20160115132-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-04-28 US claimed
US-20170037015-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2017-02-09 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 (2 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-20170037015-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF TYR, MITF, TEAD3 NPSR1 1708/4885HSD17B10 145/4885MPO 204/4885
US-20160115132-A1 NOVEL PHENOL DERIVATIVES AND PHARMACEUTICAL OR COSMETIC USE THEREOF TYR, MITF, TEAD3 NPSR1 1708/4885HSD17B10 145/4885MPO 204/4885

“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.