SCHEMBL6158360

SCHEMBL6158360

C/C=C/C[CH]c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP2A6 P11509 1/20 0.42
MAOB P27338 2/20 0.40
HTR2A P28223 4/20 0.38
TSHR P16473 1/20 0.36
IDO1 P14902 2/20 0.35
PAM P19021 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
RELA Q04206 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL6158362 1.00 ALDH1A1 (0.42) ALDH1A1CYP2A6MAOBHTR2ATSHR
SCHEMBL8838345 0.87 TP53 (0.38) ALDH1A1MAOBIDO1L3MBTL1
SCHEMBL11070730 0.79 ALDH1A1 (0.46) ALDH1A1CYP2A6MAOBHTR2ATSHR
SCHEMBL9784248 0.78 ALDH1A1 (0.40) ALDH1A1CYP2A6MAOBHTR2ATSHR
SCHEMBL295172 0.78 HTR2A (0.50) MAOBHTR2AIDO1PAMSIGMAR1
SCHEMBL21457936 0.78 HTR2A (0.50) MAOBHTR2AIDO1PAMSIGMAR1
SCHEMBL9491843 0.78 ALDH1A1 (0.40) ALDH1A1CYP2A6MAOBHTR2ATSHR
SCHEMBL21457935 0.78 HTR2A (0.50) MAOBHTR2AIDO1PAMSIGMAR1
SCHEMBL2142092 0.78 ALDH1A1 (0.56) ALDH1A1CYP2A6MAOBTSHRIDO1
SCHEMBL7736539 0.77 IDO1 (0.52) ALDH1A1CYP2A6MAOBHTR2AIDO1

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-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 EP disclosed
EP-0846687-B1 Pyrazoles as human non-pancreatic secretory phospholipase A2 inhibitors LILLY CO ELI (US) 2001-08-08 EP disclosed
US-5972972-A FOR TREATMENT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA-INDUCED SHOCK, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1999-10-26 US disclosed
WO-1998024437-A1 PYRAZOLES AS HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed
EP-0846687-A1 Pyrazoles as human non-pancreatic secretory phospholipase A2 inhibitors ELI LILLY AND COMPANY (US) 1998-06-10 EP 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-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA ALDH1A1 187/4885CYP2A6 296/4885MAOB 529/4885

“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.