SCHEMBL668103

SCHEMBL668103

CCC(C)CCC(=O)Oc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.44
MAPT P10636 3/20 0.44
FFAR1 O14842 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ESR1 P03372 1/20 0.42
HIF1A Q16665 1/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
RECQL P46063 1/20 0.42
CYP19A1 P11511 1/20 0.41
POLB P06746 1/20 0.41
MIF P14174 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL17138199 0.89 ELANE (0.48) ELANEALDH1A1KMT2AMAPTLMNA
SCHEMBL9144634 0.86 L3MBTL1 (0.52) FFAR1LMNA
SCHEMBL9144630 0.86 L3MBTL1 (0.52) FFAR1LMNA
SCHEMBL666757 0.86 KMT2A (0.49) ELANEALDH1A1KMT2AMAPTLMNA
SCHEMBL9149495 0.85 KMT2A (0.47) ELANEALDH1A1KMT2AMAPTFFAR1
SCHEMBL9149502 0.85 KMT2A (0.47) ELANEALDH1A1KMT2AMAPTFFAR1
SCHEMBL666850 0.84 ALDH1A1 (0.48) ELANEALDH1A1KMT2AMAPTLMNA
SCHEMBL28432678 0.83 ELANE (0.45) ELANEALDH1A1KMT2AMAPTLMNA
SCHEMBL27890111 0.83 ACE2 (0.47) ALDH1A1KMT2APRSS1PRSS2PRSS3
SCHEMBL11514392 0.83 CYP19A1 (0.47) ELANEALDH1A1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493870-B Composite flocculant for ion type rare earth enrichment and enrichment method 福建省长汀金龙稀土有限公司 2023-04-07 CN disclosed
CN-113493870-A Composite flocculant for ion type rare earth enrichment and enrichment method 厦门钨业股份有限公司 2021-10-12 CN disclosed
CN-108699028-A It is substituted 4- phenylpyridine compounds as non-systemic TGR5 agonists 阿德利克斯公司 2018-10-23 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 ELANE 1276/4885ALDH1A1 1292/4885KMT2A 3279/4885

“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.