SCHEMBL5749684

SCHEMBL5749684

COc1ccc2cc(C(OC)c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.37
AKR1C2 P52895 6/20 0.37
PTGS2 P35354 3/20 0.37
PTGS1 P23219 3/20 0.37
CYP1A2 P05177 2/20 0.37
CDC42 P60953 1/20 0.37
RAC1 P63000 1/20 0.37
TSHR P16473 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
LMNA P02545 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2A6 P11509 1/20 0.36
ACSS2 Q9NR19 2/20 0.36
SIRT2 Q8IXJ6 4/20 0.36
IDH1 O75874 1/20 0.35
ABCB11 O95342 1/20 0.35
AKR1C1 Q04828 1/20 0.35

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
SCHEMBL7817690 0.99 AKR1C3 (0.36) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL7817687 0.98 LMNA (0.36) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL5748920 0.90 PTGS2 (0.38) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL5682208 0.87 AKR1C3 (0.40) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL7809863 0.85 PTGS2 (0.36) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL7826098 0.81 CYP11B2 (0.39) CYP1A2NPC1RAB9ASIRT2
SCHEMBL8147914 0.77 FNTA (0.36) ACSS2SIRT2
SCHEMBL8147915 0.77 FNTA (0.36) ACSS2SIRT2
SCHEMBL5678248 0.76 AKR1C3 (0.44) AKR1C3AKR1C2LMNARAB9AACSS2
SCHEMBL7169255 0.75 SIRT2 (0.40) AKR1C3AKR1C2PTGS1ACSS2SIRT2

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 AKR1C3 42/4885AKR1C2 69/4885PTGS2 440/4885

“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.