SCHEMBL5752958

SCHEMBL5752958

COc1cc2cc(C(O)c3c[nH]cn3)ccc2cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.44
SRD5A2 P31213 2/20 0.44
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
KMT2A Q03164 2/20 0.40
CHRNA7 P36544 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CTSL P07711 5/20 0.38
CTSV O60911 4/20 0.38
SMPD1 P17405 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL7160092 0.78 MAPT (0.55) GAAMAPTHPGDRAB9ASMN1; SMN2
SCHEMBL7369453 0.76 CTSV (0.50) PDGFRBPDGFRAKMT2AMEN1POLB
SCHEMBL5754632 0.75 SRD5A1 (0.49) SRD5A1SRD5A2PDGFRBPDGFRAKMT2A
SCHEMBL13848853 0.75 CYP17A1 (0.43)
SCHEMBL6929116 0.74 CASR (0.39) KMT2AGAASMN1; SMN2
SCHEMBL5753009 0.74 CYP3A4 (0.53) SRD5A1SRD5A2PDGFRBPDGFRA
SCHEMBL31307785 0.73 ALOX5 (0.47) GAAMAPTHPGDRAB9A
SCHEMBL2060104 0.73 SMPD1 (0.56) KMT2AMEN1POLBGAANPC1
SCHEMBL14168120 0.73 NPC1 (0.57) KMT2AMEN1POLBGAANPC1
SCHEMBL19612478 0.71 ALOX5 (0.65) SRD5A1SRD5A2PDGFRBPDGFRAKMT2A

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 6 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
EP-1073640-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2001-02-07 EP disclosed
WO-1999054309-A1 NAPHTHALENE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-28 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-20030236274-A1 Naphthalene derivatives, their production and use CYP17A1, CYP21A2, HSD17B1 SRD5A1 13/4885SRD5A2 17/4885PDGFRB 3232/4885

“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.