SCHEMBL4678663

SCHEMBL4678663

[CH2]C1=C(C)CCCC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 10/20 0.36
PTGS1 P23219 4/20 0.36
LMNA P02545 2/20 0.36
DRD3 P35462 2/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
HAO1 Q9UJM8 1/20 0.34
CYP3A4 P08684 5/20 0.33
APP P05067 4/20 0.33
SNCA P37840 4/20 0.33
ALOX15 P16050 3/20 0.33
TSHR P16473 2/20 0.33
TP53 P04637 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
RXRA P19793 6/20 0.32
RXRB P28702 3/20 0.32
RXRG P48443 3/20 0.32
MAPT P10636 7/20 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
SCHEMBL4495310 0.76 CYP1A2 (0.44) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL1659293 0.70 CYP1A2 (0.44) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL19167425 0.70 CYP1A2 (0.40) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL19227398 0.70 ALDH1A1 (0.41) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL20182428 0.70 CYP1A2 (0.53) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL4105308 0.70 CYP1A2 (0.53) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL1634590 0.70 ALDH1A1 (0.41) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL9580605 0.70 RARB (0.38) CYP1A2ALDH1A1PTGS1LMNADRD3
SCHEMBL258350 0.67
SCHEMBL19928616 0.67 ALDH1A1 (0.42) CYP1A2ALDH1A1PTGS1LMNADRD3

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083682-B A kind of preparation method of the carotenal of β Apos 8 ' 广州巨元生化有限公司 2017-10-27 CN claimed
CN-105884823-A Method for preparing 2,6,6-trimethyl-1-cyclohexenyl methylphosphonate 肇庆巨元生化有限公司 2016-08-24 CN claimed
CN-105646311-A Method for preparing beta-Apo-8'-carotenal 广州巨元生化有限公司 2016-06-08 CN claimed
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-03-27 US claimed
EP-1824822-A2 NOVEL 4-AMINOPIPERIDINE DERIVATIVES AS PLASMEPSIN II INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2007-08-29 EP claimed
WO-2006056930-A2 NOVEL 4 -AMINOPIPERIDINE DERIVATIVES AS PLASMEPSIN II INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-06-01 WO claimed
US-4073813-A PLATINUM REDUCTION CATALYST, ALDEHYDES, HYDROGEN RHONE-POULENC INDUSTRIES (FR) 1978-02-14 US claimed
CN-106083682-B A kind of preparation method of the carotenal of β Apos 8 ' 广州巨元生化有限公司 2017-10-27 CN disclosed
CN-106083682-A A kind of preparation method of β apo-8 ' carotenal 广州巨元生化有限公司 2016-11-09 CN disclosed
CN-105646311-A Method for preparing beta-Apo-8'-carotenal 广州巨元生化有限公司 2016-06-08 CN disclosed
EP-1392655-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2008-07-16 EP disclosed
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2008-03-27 US disclosed
EP-1198456-B1 POTASSIUM CHANNEL OPENERS ABBOTT LAB (US) 2007-09-19 EP disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
US-20020028836-A1 Potassium channel openers ABBVIE INC. 2002-03-07 US disclosed
WO-2001016138-A1 SULFONYLPHENYLPYRAZOLE COMPOUNDS USEFUL AS COX-2 INHIBITORS ABBOTT LABORATORIES (US) 2001-03-08 WO disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed
EP-0046606-A1 Oxygenated alicyclic compounds, process for their preparation and their use as starting materials in the preparation of cyclohexadienic compounds FIRMENICH SA (CH) 1982-03-03 EP disclosed
US-4105697-A Process for the preparation of α, β-ethylenic aldehydes RHONE-POULENC INDUSTRIES (FR) 1978-08-08 US disclosed
US-4073813-A PLATINUM REDUCTION CATALYST, ALDEHYDES, HYDROGEN RHONE-POULENC INDUSTRIES (FR) 1978-02-14 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-20020028836-A1 Potassium channel openers KCNJ2, KCNJ11, KCNJ1 CYP1A2 1723/4885ALDH1A1 704/4885PTGS1 286/4885
US-20080076762-A1 Novel 4-Aminopiperidine Derivatives METAP1, DNPEP, PEPD CYP1A2 538/4885ALDH1A1 1303/4885PTGS1 1036/4885

“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.