SCHEMBL5750067

SCHEMBL5750067

COc1ccc2cc(C(OC(C)C)c3c[nH]cn3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGS2 P35354 3/20 0.42
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 3/20 0.42
PTGS1 P23219 2/20 0.42
TSHR P16473 2/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
CYP1A2 P05177 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
RIOK2 Q9BVS4 1/20 0.39
ALOX5 P09917 2/20 0.38

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
SCHEMBL5752670 0.88 ABCB11 (0.42) ABCB11TDP1L3MBTL1PTGS2AKR1C3
SCHEMBL7840451 0.72 CYP17A1 (0.40) ABCB11PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL11050973 0.70 CYP17A1 (0.35) TDP1L3MBTL1TSHRCYP1A2
SCHEMBL13848853 0.70 CYP17A1 (0.43) ABCB11L3MBTL1PTGS2AKR1C3AKR1C2
SCHEMBL5748920 0.69 PTGS2 (0.38) ABCB11TDP1L3MBTL1PTGS2AKR1C3
SCHEMBL11049982 0.69 PKM (0.40) L3MBTL1
SCHEMBL7806036 0.69 ABCB11 (0.46) ABCB11TDP1L3MBTL1PTGS2AKR1C3
SCHEMBL7846759 0.69 CYP11B2 (0.43) CYP1A2MAPTCYP2C9
SCHEMBL11739530 0.68 ABCB11 (0.54) ABCB11TDP1L3MBTL1PTGS2AKR1C3
SCHEMBL487168 0.67 ABCB11 (0.65) ABCB11TDP1L3MBTL1PTGS2AKR1C3

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 ABCB11 738/4885TDP1 3850/4885L3MBTL1 848/4885

“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.