SCHEMBL459641

SCHEMBL459641

C1=C(c2ccccc2)c2ccccc2CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.40
CYP11B2 P19099 6/20 0.40
CYP3A4 P08684 4/20 0.40
CYP17A1 P05093 3/20 0.39
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
CYP11B1 P15538 3/20 0.37
CYP19A1 P11511 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
PRCP P42785 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
G6PC1 P35575 1/20 0.37
CYP2A6 P11509 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL29987608 1.00 CES1 (0.40) CES1CYP11B2CYP3A4CYP17A1KDM4E
SCHEMBL5119030 0.86 CYP3A4 (0.42) CES1CYP11B2CYP3A4CYP17A1KDM4E
Cadaverine Tartrate SCHEMBL30208244 0.85 SRD5A1 (0.36) CES1CYP11B2CYP3A4CYP17A1KDM4E
SCHEMBL13384396 0.85 CYP3A4 (0.41) CES1CYP11B2CYP3A4CYP17A1NPC1
SCHEMBL16340167 0.85 NPC1 (0.42) CES1CYP11B2CYP3A4CYP17A1NPC1
SCHEMBL4132334 0.85 CYP11B2 (0.56) CYP11B2CYP3A4CYP17A1NPC1RAB9A
SCHEMBL7077942 0.84 TDP1 (0.41) CYP11B2CYP3A4CYP17A1NPC1MAPT
SCHEMBL6069049 0.83 SRD5A2 (0.51) CES1NPC1MAPTRAB9A
SCHEMBL28208839 0.81 SRD5A1 (0.38) CES1CYP11B2CYP17A1RAB9ACYP11B1
SCHEMBL21559837 0.81 NPC1 (0.39) CYP11B2CYP3A4CYP17A1NPC1MAPT

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894146-A Synthetic method of 3-bromo-1-phenylnaphthalene 上海固创化工新材料有限公司 2023-04-04 CN claimed
US-20150252134-A1 SWELL INDEX OF HIPS USING ADDITIVES FINA TECHNOLOGY (US) 2015-09-10 US claimed
US-9090715-B2 Swell index of HIPS using additives FINA TECHNOLOGY, INC. (US) 2015-07-28 US claimed
US-20120252975-A1 Swell Index of HIPS Using Additives FINA TECHNOLOGY, INC. (US) 2012-10-04 US claimed
WO-2012134952-A1 IMPROVEMENT OF SWELL INDEX OF HIPS USING ADDITIVES FINA TECHNOLOGY, INC. (US) 2012-10-04 WO claimed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US claimed
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2003-02-06 US claimed
CN-115093308-B Synthesis method of 1-bromo-4-phenyl naphthalene 上海固创化工新材料有限公司 2024-03-22 CN disclosed
CN-115894146-A Synthetic method of 3-bromo-1-phenylnaphthalene 上海固创化工新材料有限公司 2023-04-04 CN disclosed
CN-115894146-A Synthetic method of 3-bromo-1-phenylnaphthalene 上海固创化工新材料有限公司 2023-04-04 CN disclosed
CN-115844877-A Use of lasofoxifene to modulate membrane-bound estrogen signaling and methods of treating cancer 王巍 2023-03-28 CN disclosed
CN-115737636-A Use of lasofoxifene to modulate membrane-bound estrogen signaling and methods of treating cancer 王巍 2023-03-07 CN disclosed
CN-115737637-A Use of lasofoxifene to modulate membrane-bound estrogen signaling and methods of treating cancer 王巍 2023-03-07 CN disclosed
EP-1373258-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES Pfizer Products Inc. (US) 2004-01-02 EP disclosed
WO-2003102202-A2 PROCESS FOR PREPARING VINYLAROMATIC COMPOUNDS DSM IP ASSETS B.V. (NL) 2003-12-11 WO disclosed
US-6608212-B1 Palladium catalyzed coupling of a vinylphosphate and aryl-metal halide; preparation of such as 1-(4-(2-(pyrrolidin-n-yl)-ethoxy)phenyl)-6-methoxy-3,4-dihydronaphthalene PFIZER, INC. 2003-08-19 US disclosed
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. 2003-02-06 US disclosed
WO-2002060896-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER PRODUCTS INC. (US) 2002-08-08 WO disclosed
EP-0374824-B1 DENTAL COMPOSITIONS CONTAINING BIFUNCTIONAL ACRYLIC OR METHACRYLIC ACID ESTERS THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1993-09-22 EP disclosed
EP-0374824-A2 Dental compositions containing bifunctional acrylic or methacrylic acid esters THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1990-06-27 EP 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 (2 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-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D CES1 168/4885CYP11B2 113/4885CYP3A4 67/4885
US-20030027845-A1 Ether derivatives useful as inhibitors of PDE4 isozymes CBR1, PDE4A, PDE4B CES1 77/4885CYP11B2 58/4885CYP3A4 544/4885

“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.