SCHEMBL5752191

SCHEMBL5752191

COc1ccc2c(C)c(Br)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
CYP1A2 P05177 1/20 0.48
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
RAD52 P43351 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GSTP1 P09211 1/20 0.41
AXL P30530 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
HNF4A P41235 1/20 0.40
NCF1 P14598 1/20 0.40
RAB9A P51151 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 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
SCHEMBL15266968 0.81 CYP1A2 (0.48) CYP2A6CYP1A2HSD17B1HSD17B2RAD52
SCHEMBL5337507 0.80 TUBB4A (0.50) CYP2A6CYP1A2HSD17B1HSD17B2KDM4E
SCHEMBL27902298 0.80 CYP2A6 (0.65) CYP2A6CYP1A2HSD17B1HSD17B2RAD52
SCHEMBL23458358 0.79 CYP2A6 (0.50) CYP2A6CYP1A2HSD17B1HSD17B2RAD52
SCHEMBL29861952 0.79 CYP2A6 (0.50) CYP2A6CYP1A2HSD17B1HSD17B2RAD52
SCHEMBL30503987 0.79 CA12 (0.52) CYP2A6CYP1A2HSD17B1HSD17B2RAD52
SCHEMBL4194130 0.79 CA12 (0.52) CYP2A6CYP1A2HSD17B1HSD17B2RAD52
SCHEMBL2171080 0.78 CYP1A2 (0.48) CYP2A6CYP1A2HSD17B1HSD17B2RAD52
SCHEMBL3137389 0.78 CYP2A6 (0.62) CYP2A6CYP1A2HSD17B1HSD17B2RAD52
SCHEMBL12259995 0.78 CYP2A6 (0.62) CYP2A6CYP1A2HSD17B1HSD17B2RAD52

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 9 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-0934241-B1 PRODUCTION OF 6-BROMO-2-METHOXYNAPHTHALENE AND DERIVATIVES ALBEMARLE CORP (US) 2001-03-14 EP 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
EP-0934241-A1 PRODUCTION OF 6-BROMO-2-METHOXYNAPHTHALENE AND DERIVATIVES ALBEMARLE CORPORATION (US) 1999-08-11 EP disclosed
WO-1998011045-A1 PRODUCTION OF 6-BROMO-2-METHOXYNAPHTHALENE AND DERIVATIVES ALBEMARLE CORPORATION (US) 1998-03-19 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 CYP2A6 108/4885CYP1A2 91/4885HSD17B1 3/4885

“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.