SCHEMBL666757

SCHEMBL666757

CCCCC(C)CCC(=O)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
RECQL P46063 1/20 0.49
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 2/20 0.42
ALOX5 P09917 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ELANE P08246 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42

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
SCHEMBL27890111 0.94 ACE2 (0.47) KMT2AKDM4EMEN1RECQLPRSS1
SCHEMBL28240358 0.87 PRSS1 (0.49) KMT2AKDM4EMEN1RECQLPRSS1
SCHEMBL28246517 0.86 ELANE (0.43) KMT2AKDM4EMEN1RECQLCNR2
SCHEMBL668103 0.86 ELANE (0.45) KMT2AKDM4EMEN1RECQLPRSS1
SCHEMBL28175669 0.85 KMT2A (0.49) KMT2AKDM4EMEN1RECQLPRSS1
SCHEMBL28329707 0.84 HDAC3 (0.48) KMT2AKDM4EMEN1RECQLPRSS1
SCHEMBL643462 0.82 KMT2A (0.63) KMT2AKDM4EMEN1RECQLPRSS1
SCHEMBL28212655 0.82 ALDH1A1 (0.45) KMT2AKDM4EMEN1RECQLCNR2
SCHEMBL28515139 0.81 KMT2A (0.46) KMT2AKDM4EMEN1RECQLPRSS1
SCHEMBL28495500 0.81 PRSS1 (0.49) KMT2AKDM4EMEN1RECQLPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103773623-A Composite enzyme detergent, and preparation method and use thereof ZHANG FANGJUN 2014-05-07 CN claimed
CN-103773623-B Composite enzyme detergent, and preparation method and use thereof 衢州华宇科技有限公司 2017-05-17 CN disclosed
CN-104479909-A Washing composite enzyme containing fungus alpha-amylase and preparation method of washing composite enzyme HUNAN XINHONGYING BIO ENGINEERING CO LTD 2015-04-01 CN disclosed
CN-103773623-A Composite enzyme detergent, and preparation method and use thereof ZHANG FANGJUN 2014-05-07 CN disclosed
US-8648032-B2 Phenol ester as perfuming ingredient FIRMENICH SA (CH) 2014-02-11 US disclosed
CN-102458349-B Phenol ester as perfuming ingredient FIRMENICH & CIE 2013-09-25 CN disclosed
EP-2437718-B1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH & CIE (CH) 2013-03-27 EP disclosed
CN-102458349-A Phenol esters as perfuming ingredients FIRMENICH & CIE 2012-05-16 CN disclosed
EP-2437718-A1 PHENOL ESTER AS PERFUMING INGREDIENT Firmenich S.A. (CH) 2012-04-11 EP disclosed
US-20120045408-A1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2012-02-23 US disclosed
WO-2010140076-A1 PHENOL ESTER AS PERFUMING INGREDIENT FIRMENICH SA (CH) 2010-12-09 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-20120045408-A1 PHENOL ESTER AS PERFUMING INGREDIENT HPD, CYP2E1, CYP2B6 KMT2A 3279/4885KDM4E 1403/4885MEN1 4723/4885

“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.