SCHEMBL5140503

SCHEMBL5140503

COc1ccccc1C(=O)Nc1cccc2c1CC(O)CC2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.56
NPC1 O15118 3/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 2/20 0.53
GAA P10253 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MTNR1A P48039 2/20 0.51
MTNR1B P49286 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 3/20 0.50
TRPV1 Q8NER1 7/20 0.49
MEN1 O00255 2/20 0.48
KCNK3 O14649 1/20 0.48
KCNK9 Q9NPC2 1/20 0.48

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
SCHEMBL13613632 0.80 LMNA (0.54) MAPTALDH1A1HPGDGAAHSD17B10
SCHEMBL5130076 0.80 TRPV1 (0.59) KMT2ATRPV1MEN1
SCHEMBL472446 0.78 CHRM2 (0.67) MAPTMTNR1AMTNR1B
SCHEMBL5111925 0.78 LMNA (0.51) RAB9ANPC1MTNR1AMTNR1BKMT2A
SCHEMBL8672558 0.78 TRPV1 (0.56) RAB9ANPC1ALDH1A1MTNR1AMTNR1B
SCHEMBL30385365 0.78 TRPV1 (0.56) RAB9ANPC1ALDH1A1MTNR1AMTNR1B
SCHEMBL30385657 0.78 TRPV1 (0.56) RAB9ANPC1ALDH1A1MTNR1AMTNR1B
SCHEMBL2363868 0.78 TRPV1 (0.59) TRPV1
SCHEMBL3699335 0.78 TRPV1 (0.59) TRPV1
SCHEMBL3410678 0.78 TRPV1 (0.59) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
US-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-21 US disclosed
EP-1678123-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES Bayer HealthCare AG (DE) 2006-07-12 EP disclosed
WO-2005040100-A1 TETRAHYDRO-NAPHTHALENE AND UREA DERIVATIVES BAYER HEALTHCARE AG (DE) 2005-05-06 WO 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-20080045546-A1 Tetradydro-Naphthalene And Urea Derivatives NMUR1, GPR17, NMUR2 RAB9A 2364/4885NPC1 880/4885MAPT 949/4885

“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.