SCHEMBL3192402

SCHEMBL3192402

CCCC(=O)OC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
CYP3A4 P08684 3/20 0.46
PTPN1 P18031 2/20 0.45
GSK3B P49841 2/20 0.45
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
MMP1 P03956 1/20 0.43
MAOB P27338 1/20 0.42
SRD5A2 P31213 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
SLC6A4 P31645 1/20 0.42
NR4A1 P22736 1/20 0.41

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
SCHEMBL7724571 0.88 CES2 (0.52) ALDH1A1MAPTCES2CES1PTPN1
SCHEMBL20485512 0.86 ALDH1A1 (0.58) ALDH1A1MAPTCES2CES1CYP3A4
SCHEMBL27536710 0.85 CA1 (0.46) ALDH1A1MAPTMAPK1SRD5A2NR4A2
SCHEMBL10959863 0.84 CES2 (0.44) ALDH1A1MAPTCES2CES1CYP3A4
SCHEMBL11468763 0.82 ALDH1A1 (0.55) ALDH1A1CES2MAOBSRD5A2MEN1
SCHEMBL4688387 0.81 HTR7 (0.51) ALDH1A1MAPTCES2CES1CYP1A2
SCHEMBL779219 0.80 CES2 (0.64) CES2CES1PTPN1GSK3BTSHR
SCHEMBL8995839 0.80 TDP1 (0.52) ALDH1A1MAPTCES2CES1CYP3A4
SCHEMBL10579985 0.80 HSD17B3 (0.58) ALDH1A1MAPTCYP3A4CYP2C9CYP2C19
SCHEMBL8591084 0.78 ALDH1A1 (0.48) ALDH1A1MAPTCES2CES1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103096892-B Pharmaceutical composition containing carbamoyloxy group arylalkanoyl arylpiperazine compound SK BIOPHARMACEUTICALS CO.,LTD. (KR) 2015-08-12 CN disclosed
EP-2262366-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES Shenogen Pharma Group Ltd. (CN) 2010-12-22 EP disclosed
US-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2010-01-21 US disclosed
WO-2009129372-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES SHENOGEN PHARMA GROUP LTD. (CN) 2009-10-22 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-20100016352-A1 COMPOUNDS AND METHODS FOR TREATING ESTROGEN RECEPTOR-RELATED DISEASES ESR2, ESR1, ESRRB ALDH1A1 1811/4885MAPT 3901/4885CES2 3495/4885

“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.