SCHEMBL5752433

SCHEMBL5752433

COc1ccc2cc(C=O)ccc2c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.56
TSHR P16473 1/20 0.56
AOX1 Q06278 1/20 0.51
FDPS P14324 1/20 0.49
CYP19A1 P11511 1/20 0.48
CYP11B1 P15538 1/20 0.48
CYP11B2 P19099 1/20 0.48
HPGD P15428 3/20 0.47
TRIM24 O15164 1/20 0.47
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRIM33 Q9UPN9 1/20 0.47
TTR P02766 1/20 0.45
GAA P10253 1/20 0.45
CYP1A2 P05177 2/20 0.45
MAPT P10636 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL12143567 0.82 ALDH1A1 (0.58) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL1368238 0.81 ALDH1A1 (0.56) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL1369428 0.81 ALDH1A1 (0.56) ALDH1A1TSHRAOX1FDPSCYP19A1
SCHEMBL13781591 0.79 EPHX2 (0.57) ALDH1A1TSHRFDPSHPGDTTR
SCHEMBL11078619 0.78 NCEH1 (0.46) ALDH1A1CYP19A1CYP11B1CYP11B2GAA
SCHEMBL24215272 0.78 ALDH1A1 (0.55) ALDH1A1TTRALDH1A3
SCHEMBL30203680 0.77 MAPT (0.65) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL11810667 0.77 ALDH1A1 (0.55) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL31362057 0.77 ALDH1A1 (0.55) ALDH1A1TSHRAOX1FDPSHPGD
SCHEMBL28168331 0.76 CYP11B1 (0.52) ALDH1A1CYP19A1CYP11B1CYP11B2CYP1A2

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 ALDH1A1 146/4885TSHR 2457/4885AOX1 509/4885

“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.