SCHEMBL5951806

SCHEMBL5951806

CCCCC1=Cc2c(-c3ccccn3)cccc2C1[Zr](Cl)(Cl)C1C(CCCC)=Cc2c(-c3ccccn3)cccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TYRO3 Q06418 14/20 0.33
MERTK Q12866 14/20 0.33
AXL P30530 10/20 0.33
FLT3 P36888 11/20 0.32
GAS6 Q14393 11/20 0.32
ADRA1A P35348 1/20 0.31

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
Hydrochloric Acid SCHEMBL5951801 0.81 CYP1A2 (0.36) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL7564374 0.79 ADRA1A (0.35) CYP1A2ADRA1A
SCHEMBL5951757 0.79 TYRO3 (0.35) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5951880 0.79 CYP1A2 (0.33) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5952739 0.79 CYP1A2 (0.33) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL7566708 0.78 CYP1A2 (0.34) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL5952333 0.76 CYP1A2 (0.31) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL2522927 0.75
SCHEMBL27567397 0.74 GCGR (0.31)
Hydrochloric Acid SCHEMBL5952564 0.73 ADRA1A (0.31) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19

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 5 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

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 CYP1A2 1/4885CYP2D6 16/4885CYP19A1 18/4885
US-20030009046-A1 Preparation of preparing substituted indanones CYP1A2, CYP1B1, CYP1A1 CYP1A2 1/4885CYP2D6 15/4885CYP19A1 17/4885

“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.