SCHEMBL5953070

SCHEMBL5953070

CCCC[Sn](CCCC)(CCCC)c1cc(OC)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
AHR P35869 2/20 0.41
PTGS2 P35354 1/20 0.40
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
GPR84 Q9NQS5 1/20 0.37
CYP1A1 P04798 3/20 0.35
CYP1B1 Q16678 3/20 0.35
ESR1 P03372 2/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2E1 P05181 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C8 P10632 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2A6 P11509 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP4B1 P13584 2/20 0.32
CYP2B6 P20813 2/20 0.32
CYP3A5 P20815 2/20 0.32
CYP2A7 P20853 2/20 0.32

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
SCHEMBL1255316 0.82 ACHE (0.41) ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL27827652 0.80 PTGS2 (0.32) AHRPTGS2
SCHEMBL12502665 0.80 CYP11B1 (0.35) PTGS2CYP1A1CYP1B1CYP1A2CYP3A4
SCHEMBL1097013 0.80 CA1 (0.44) AHRHDAC3HDAC1HDAC2MAPK1
SCHEMBL2721490 0.77 PTGS2 (0.47) ALDH1A1PTGS2CYP3A4
SCHEMBL15375234 0.73 CA12 (0.41) CNR1CNR2HDAC3HDAC1HDAC2
SCHEMBL1452251 0.72 NOS2 (0.33) ALDH1A1CNR1CNR2TSHR
SCHEMBL2307379 0.72 CA2 (0.41) KMT2AHDAC3HDAC2MAPK1
SCHEMBL246540 0.72 CA2 (0.41) KMT2AHDAC3HDAC2MAPK1
SCHEMBL9901980 0.71 BDKRB2 (0.35) CYP1A2CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172339-A1 ANGIOGENIC RESORCINOL DERIVATIVES NORTHEASTERN UNIVERSITY (US) 2012-07-05 US disclosed
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-1762957-A 2,3-dihydro-1-indene compound and preparation method thereof BASELL POLYOLEFINE GMBH (DE) 2006-04-26 CN disclosed
CN-1763060-A Metallocene compound, indene compound and application 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-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
EP-0968158-A1 METHOD OF PREPARING SUBSTITUTED INDANONES, THE SUBSTITUTED INDANONES AND METALLOCENES PREPARED THEREFROM Basell Polyolefine GmbH (DE) 2000-01-05 EP disclosed
WO-1998040331-A1 PREPARATION OF PREPARING SUBSTITUTED INDANONES TARGOR GMBH (DE) 1998-09-17 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 (3 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-20120172339-A1 ANGIOGENIC RESORCINOL DERIVATIVES CNR1, CNR2, KDR ALDH1A1 3571/4885AHR 943/4885PTGS2 587/4885
US-20050033076-A1 Preparation of preparing substituted indanones CYP1A2, CYP2J2, IDH3A ALDH1A1 317/4885AHR 283/4885PTGS2 405/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 ALDH1A1 198/4885AHR 320/4885PTGS2 443/4885

“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.