SCHEMBL12422642

SCHEMBL12422642

CC(CP)(CP)C1CCCCC1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL28157000 0.76 CYP1A2 (0.39) CYP1A2MEN1ALDH1A1LMNAALOX12
SCHEMBL240925 0.74 SMN1; SMN2 (0.34) CYP1A2MEN1ALDH1A1LMNAALOX12
SCHEMBL29010804 0.72
SCHEMBL3002888 0.72 MEN1 (0.37) CYP1A2MEN1ALDH1A1LMNAALOX12
SCHEMBL2996130 0.72 CYP1A2 (0.36) CYP1A2MEN1ALDH1A1LMNAALOX12
Hydrochloric Acid SCHEMBL11212865 0.70
SCHEMBL27947977 0.70
SCHEMBL8850626 0.70 SMN1; SMN2 (0.32) MEN1ALDH1A1LMNAALOX12KMT2A
SCHEMBL814021 0.70 NPSR1 (0.31) CYP1A2NPSR1
SCHEMBL28046495 0.70 MEN1 (0.36) CYP1A2MEN1ALDH1A1LMNAALOX12

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
EP-2282986-B1 METHOD FOR PRODUCING AROMATIC AND HETEROAROMATIC CARBOXYLIC ACIDS, CARBOXYLIC ACID ESTERS AND CARBOXYLIC ACID AMIDES BASF SE (DE) 2017-04-19 EP disclosed
US-8703992-B2 Method for producing aromatic and heteroaromatic carboxylic acids, carboxylic acid esters and carboxylic acid amides BASF SE (DE) 2014-04-22 US disclosed
US-8703992-B2 Method for producing aromatic and heteroaromatic carboxylic acids, carboxylic acid esters and carboxylic acid amides BASF SE (DE) 2014-04-22 US disclosed
US-20110172456-A1 Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides BASF SE (DE) 2011-07-14 US disclosed
US-20110172456-A1 Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides BASF SE (DE) 2011-07-14 US disclosed
WO-2009144197-A1 METHOD FOR PRODUCING AROMATIC AND HETEROAROMATIC CARBOXYLIC ACIDS, CARBOXYLIC ACID ESTERS AND CARBOXYLIC ACID AMIDES BASF SE (DE) 2009-12-03 WO disclosed
WO-2009124897-A1 COMPLEX COMPOUND CONTAINING A METAL ATOM AND PHOSPHINE DERIVATIVE AS THE LIGAND BASF SE (DE) 2009-10-15 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 (1 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-20110172456-A1 Method for Producing Aromatic and Heteroaromatic Carboxylic Acids, Carboxylic Acid Esters and Carboxylic Acid Amides CBR3, HRH3, HRH4 CYP1A2 314/4885MEN1 3698/4885ALDH1A1 2433/4885

“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.