SCHEMBL5751995

SCHEMBL5751995

O=C(c1ccc2cc(OCc3ccccc3)ccc2c1)c1c[nH]cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
SRD5A2 P31213 4/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
NPC1 O15118 1/20 0.48
MAPT P10636 1/20 0.48
NR4A2 P43354 2/20 0.48
NR4A1 P22736 1/20 0.48
NR4A3 Q92570 1/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
P2RY14 Q15391 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAOB P27338 2/20 0.46
PARP10 Q53GL7 1/20 0.46
FLT3 P36888 1/20 0.45

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
SCHEMBL5754632 0.85 SRD5A1 (0.49) SRD5A2MRGPRX4NPC1PDGFRBPDGFRA
SCHEMBL5750943 0.82 MEN1 (0.51) NPC1MAPTKDM4EALDH1A1HPGD
SCHEMBL5678286 0.80 KDM4E (0.53) NPC1MAPTPDGFRBPDGFRAKDM4E
SCHEMBL5921632 0.78 MRGPRX4 (0.76) ALOX5SRD5A2MRGPRX4NPC1MAPT
Hydrochloric Acid SCHEMBL8380168 0.76 MRGPRX4 (0.74) ALOX5SRD5A2MRGPRX4NPC1MAPT
SCHEMBL4258805 0.75 MRGPRX4 (0.76) ALOX5SRD5A2MRGPRX4NPC1MAPT
SCHEMBL6652096 0.75 ALOX5 (0.63) ALOX5SRD5A2MRGPRX4NPC1MAPT
SCHEMBL3235219 0.74 ALOX5 (0.61) ALOX5SRD5A2MRGPRX4NPC1MAPT
SCHEMBL5678124 0.74 CYP1A2 (0.44) MAPTPDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL5750032 0.73 ALOX5 (0.44) ALOX5SRD5A2MRGPRX4NPC1MAPT

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-7084149-B2 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-01 US disclosed
EP-1073640-B1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-04-13 EP disclosed
US-20030236274-A1 Naphthalene derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-25 US disclosed
US-6573289-B1 Naphthalene derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-03 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-20030236274-A1 Naphthalene derivatives, their production and use CYP17A1, CYP21A2, HSD17B1 ALOX5 205/4885SRD5A2 17/4885MRGPRX4 3593/4885

“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.