SCHEMBL5129173

SCHEMBL5129173

O=C1CCc2cccc(NC(=O)O)c2C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 2/20 0.44
THRB P10828 2/20 0.44
THRA P10827 1/20 0.44
L3MBTL1 Q9Y468 3/20 0.43
KDM4E B2RXH2 2/20 0.43
CYP2A6 P11509 1/20 0.43
TRPV1 Q8NER1 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.37

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
SCHEMBL8669256 0.86 NPC1 (0.57) ALDH1A1MEN1KMT2ALMNATHRB
SCHEMBL13823608 0.86 CYP2A6 (0.46) ALDH1A1MEN1KMT2ALMNATHRB
SCHEMBL5118727 0.82 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNATHRB
SCHEMBL287047 0.79 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNATHRB
SCHEMBL14278349 0.79 NPC1 (0.53) ALDH1A1KDM4ENPC1RAB9APOLB
SCHEMBL24191934 0.78 CYP2A6 (0.47) ALDH1A1MEN1KMT2ALMNATHRB
SCHEMBL19305874 0.78 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ALMNATHRB
SCHEMBL6627142 0.78 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ALMNATHRB
SCHEMBL5126551 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNATHRB
SCHEMBL5126548 0.76 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ALMNATHRB

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-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 ALDH1A1 477/4885MEN1 3857/4885KMT2A 4656/4885

“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.