SCHEMBL5952565

SCHEMBL5952565

CCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
CASP1 P29466 1/20 0.50
RAB9A P51151 1/20 0.50
MGLL Q99685 1/20 0.48
MAPT P10636 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CYP4A11 Q02928 2/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
HPGD P15428 1/20 0.45
CYP4F2 P78329 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 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
SCHEMBL28446209 0.93 CYP4A11 (0.48) NPC1CASP1RAB9AMGLLMAPT
SCHEMBL1454369 0.85 CA1 (0.54) NPC1RAB9AMAPTCA1CA2
SCHEMBL2720868 0.85 PTPN11 (0.46) NPC1CASP1RAB9AMGLLMAPT
SCHEMBL10589588 0.84 TSHR (0.41) NPC1CASP1RAB9AMGLLMAPT
SCHEMBL6570768 0.83 KDM4E (0.44) NPC1CASP1RAB9AMGLLMAPT
SCHEMBL6288870 0.82 BDKRB2 (0.44) RAB9AMAPTHPGDALDH1A1
Hexane SCHEMBL28004600 0.82 MGLL (0.63) NPC1CASP1RAB9AMGLLMAPT
SCHEMBL27237908 0.81 ALDH1A1 (0.64) NPC1RAB9AMAPTTSHRALDH1A1
SCHEMBL2480571 0.81 RARB (0.50) MAPTMEN1KMT2ATSHRALDH1A1
SCHEMBL28435445 0.81 KMT2A (0.44) NPC1RAB9AMAPTHPGDKMT2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1762957-B 2,3-dihydro-1-indene compound and preparation method thereof BASELL POLYOLEFINE GMBH 2010-05-12 CN disclosed
CN-100451024-C Metallocene compound, indene compound and application thereof BASELL POLYOLEFINE GMBH (DE) 2009-01-14 CN disclosed
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US disclosed
CN-1763060-A Metallocene compound, indene compound and application thereof BASELL POLYOLEFINE GMBH (DE) 2006-04-26 CN disclosed
CN-1762957-A 2,3-dihydro-1-indene compound and preparation method thereof BASELL POLYOLEFINE GMBH (DE) 2006-04-26 CN disclosed
CN-1231431-C Process for preparing substituted 2, 3-dihydro-1-indanones TARGOR GMBH (DE) 2005-12-14 CN disclosed
US-6963017-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2005-11-08 US disclosed
EP-0968158-B1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM BASELL POLYOLEFINE GMBH (DE) 2005-08-10 EP disclosed
US-20050033076-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2005-02-10 US disclosed
US-20030049203-A1 Targeted nucleic acid constructs and uses related thereto ENERGY, UNITED STATES DEPARTMENT OF 2003-03-13 US disclosed
US-20030009046-A1 Preparation of preparing substituted indanones EQUISTAR CHEMICALS, LP 2003-01-09 US disclosed
CN-1254328-A Process for preparing substituted 2, 3-dihydro-1-indanones TARGOR GMBH (DE) 2000-05-24 CN disclosed
US-5945561-A ANTIINFLAMMATORY AGENT, RHEUMATIC DISORDERS, SKIN DISORDERS,ANTISCARRING AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1999-08-31 US disclosed
WO-1998049136-A1 RETINOID-LIKE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-11-05 WO disclosed
US-5746997-A Radiohalogenation of oligonucleotides via trialkylstannylaryl conjugates EPOCH PHARMACEUTICALS, INC. (US) 1998-05-05 US disclosed
EP-0664282-B1 Biaryl phospholipase A2 inhibitors BRISTOL MYERS SQUIBB CO (US) 1997-10-22 EP disclosed
EP-0664282-A1 Biaryl phospholipase A2 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 1995-07-26 EP disclosed
US-5391817-A Antiinflammatory agents BRISTOL-MYERS SQUIBB (US) 1995-02-21 US 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-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A NPC1 2099/4885CASP1 2211/4885RAB9A 3183/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 NPC1 1941/4885CASP1 1580/4885RAB9A 3329/4885

“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.