SCHEMBL14860552

SCHEMBL14860552

CC1(C)CCCC2=CC(=O)CCC21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.49
TLR4 O00206 2/20 0.40
CYP19A1 P11511 2/20 0.39
SHBG P04278 3/20 0.37
SERPINA6 P08185 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SLC22A1 O15245 1/20 0.37
THRB P10828 1/20 0.37
AR P10275 2/20 0.35
LMNA P02545 2/20 0.33
CYP3A4 P08684 2/20 0.33
ABCB11 O95342 2/20 0.33
PGR P06401 2/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
ESR1 P03372 1/20 0.33
NR3C1 P04150 1/20 0.33
ADRA2A P08913 1/20 0.33
SLC6A4 P31645 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
SCHEMBL14880036 0.84 MMP2 (0.38) MMP2TLR4CYP19A1AR
SCHEMBL12522454 0.75 MMP2 (0.40) MMP2TLR4CYP19A1SERPINA6AR
SCHEMBL13636944 0.73 MMP2 (0.39) MMP2TLR4CYP19A1ARPGR
SCHEMBL28141642 0.70 CYP2C19 (0.33) CYP19A1ALDH1A1ARLMNACYP3A4
SCHEMBL10485863 0.69 MMP2 (0.41) MMP2CYP19A1SHBGSERPINA6ALDH1A1
SCHEMBL9334177 0.68 MMP2 (0.55) MMP2CYP19A1ALDH1A1CYP3A4TSHR
SCHEMBL14879683 0.68 CYP19A1 (0.38) CYP19A1CYP2C19
SCHEMBL11181948 0.65 TLR4 (0.47) MMP2TLR4CYP19A1SHBGALDH1A1
SCHEMBL11162337 0.64 CYP19A1 (0.54) MMP2CYP19A1SHBGSERPINA6ALDH1A1
SCHEMBL9716446 0.64

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658806-B2 Process for preparing optically active antrocin DEYEW BIOTECH CORP. (TW) 2014-02-25 US disclosed
US-8658806-B2 Process for preparing optically active antrocin DEYEW BIOTECH CORP. (TW) 2014-02-25 US disclosed
US-8658806-B2 Process for preparing optically active antrocin DEYEW BIOTECH CORP. (TW) 2014-02-25 US disclosed
US-20130096324-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE ANTROCIN DEYEW BIOTECH CORP. (TW) 2013-04-18 US disclosed
US-20130096324-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE ANTROCIN DEYEW BIOTECH CORP. (TW) 2013-04-18 US disclosed
US-20130096324-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE ANTROCIN DEYEW BIOTECH CORP. (TW) 2013-04-18 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 (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-20130096324-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE ANTROCIN KTN1, TMSB10, TSN MMP2 2520/4885TLR4 1277/4885CYP19A1 473/4885

“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.