SCHEMBL5952425

SCHEMBL5952425

ClB(Cl)/C=C/c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
MAOB P27338 3/20 0.50
MGLL Q99685 1/20 0.45
GLA P06280 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42
NFE2L2 Q16236 2/20 0.42
CYP19A1 P11511 2/20 0.42
MAOA P21397 2/20 0.42
TRPA1 O75762 2/20 0.42
ALOX5 P09917 1/20 0.42
MAPT P10636 2/20 0.41
RECQL P46063 2/20 0.41
HDAC3 O15379 1/20 0.41
TNKS O95271 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

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
SCHEMBL5952429 1.00 CA1 (0.58) CA1MAOBMGLLGLATDP1
Styrylboronic Acid SCHEMBL144461 0.74 CA1 (1.00) CA1MAOBMGLLGLATDP1
Styrylboronic Acid SCHEMBL4168786 0.74 CA1 (1.00) CA1MAOBMGLLGLATDP1
Styrylboronic Acid SCHEMBL144460 0.74 CA1 (1.00) CA1MAOBMGLLGLATDP1
SCHEMBL13931094 0.74 CA1 (0.58) CA1MAOBMGLLGLATDP1
SCHEMBL5951536 0.74 CA1 (0.58) CA1MAOBMGLLALDH1A1LMNA
SCHEMBL5951532 0.74 CA1 (0.58) CA1MAOBMGLLALDH1A1LMNA
SCHEMBL8011423 0.74 CA1 (0.73) CA1MAOBMGLLGLATDP1
(Z)-1,2-Diphenylethene SCHEMBL9134305 0.73 MAOB (0.73) MAOBALDH1A1LMNAMAPK1NFE2L2
(Z)-1,2-Diphenylethene SCHEMBL443 0.73 MAOB (0.73) MAOBALDH1A1LMNAMAPK1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038070-B2 Preparation of preparing substituted indanones BASELL POLYOLEFINE GMBH (DE) 2006-05-02 US 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
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 (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 CA1 3547/4885MAOB 334/4885MGLL 4627/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CA1 3105/4885MAOB 403/4885MGLL 4728/4885

“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.