SCHEMBL11518296

SCHEMBL11518296

CCC1(CC)CC1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
FFAR3 O14843 1/20 0.36
CYP2C19 P33261 3/20 0.35
GRM4 Q14833 4/20 0.34
CYP1A2 P05177 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GRM8 O00222 1/20 0.34
GRM6 O15303 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GRM2 Q14416 1/20 0.33
GRM3 Q14832 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
SCHEMBL20798258 1.00 APLNR (0.37) APLNRFFAR3CYP2C19GRM4CYP1A2
SCHEMBL6268424 0.81 APLNR (0.34) APLNRFFAR3CYP2C19GRM4CYP1A2
SCHEMBL9748351 0.78 SMN1; SMN2 (0.33) ALDH1A1KMT2A
SCHEMBL14783304 0.77 CYP2C19 (0.36) APLNRCYP2C19GRM4CYP1A2ALDH1A1
SCHEMBL21410922 0.75 CYP2C19 (0.35) APLNRCYP2C19GRM4CYP1A2ALDH1A1
SCHEMBL22396496 0.75 CYP2C19 (0.35) APLNRCYP2C19GRM4CYP1A2ALDH1A1
SCHEMBL7003944 0.75 CYP2C19 (0.35) APLNRCYP2C19GRM4CYP1A2ALDH1A1
SCHEMBL248541 0.75 CYP2C19 (0.35) APLNRCYP2C19GRM4CYP1A2ALDH1A1
SCHEMBL21410715 0.75 CYP2C19 (0.35) APLNRCYP2C19GRM4CYP1A2ALDH1A1
SCHEMBL248944 0.75 CYP2C19 (0.35) APLNRCYP2C19GRM4CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11629139-B2 Small molecule inhibitors of Ebola and Lassa fever viruses and methods of use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-18 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE THE BRIGHAM AND WOMEN'S HOSPITAL, INC. 2021-06-03 US disclosed
WO-2019051396-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-03-14 WO disclosed
US-4154952-A REACTING ALDEHYDES, METHYLENE COMPOUND, A SULFUR-CONTAINING HALIDE, AN INERT ORGANIC SOLVENT AND A STRONG BASE SCHULTZ HARRY W 1979-05-15 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-11629139-B2 Small molecule inhibitors of Ebola and Lassa fever viruses and methods of use CCR8, RPS8, HDHD5 APLNR 2708/4885FFAR3 427/4885CYP2C19 3265/4885
US-20210163454-A1 SMALL MOLECULE INHIBITORS OF EBOLA AND LASSA FEVER VIRUSES AND METHODS OF USE CCR8, RPS8, HDHD5 APLNR 2708/4885FFAR3 427/4885CYP2C19 3265/4885

“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.