SCHEMBL9947080

SCHEMBL9947080

CNCCCOCCC(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.37
HTR1B P28222 1/20 0.36
ALDH1A1 P00352 2/20 0.33
HRH1 P35367 3/20 0.32
HTR2A P28223 1/20 0.32
EPHX1 P07099 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NSD2 O96028 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
SLC6A4 P31645 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL24672517 0.91 KISS1R (0.37) KISS1RHTR1BALDH1A1HRH1HTR2A
SCHEMBL23806694 0.89 KISS1R (0.36) KISS1RHTR1BALDH1A1HRH1HTR2A
SCHEMBL23568411 0.87 LMNA (0.36) KISS1RHTR1BALDH1A1HRH1HTR2A
SCHEMBL9945675 0.86 ALDH1A1 (0.36) KISS1RHTR1BALDH1A1TDP1CA12
SCHEMBL23696017 0.84 MEN1 (0.38) KISS1RHTR1BALDH1A1TDP1CA12
SCHEMBL22790642 0.84 MEN1 (0.38) KISS1RHTR1BALDH1A1TDP1CA12
SCHEMBL20813179 0.84 MEN1 (0.38) KISS1RHTR1BALDH1A1TDP1CA12
SCHEMBL13311637 0.84 MEN1 (0.38) KISS1RHTR1BALDH1A1TDP1CA12
SCHEMBL21106870 0.83 EPHX1 (0.39) KISS1RHTR1BHRH1HTR2AEPHX1
SCHEMBL8352992 0.83 HTR1B (0.46) HTR1BALDH1A1HRH1EPHX1KDM4E

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
WO-2023109944-A1 TLR MODULATOR AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-06-22 WO disclosed
US-20210388196-A1 GENE DELIVERY CARRIER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-12-16 US disclosed
US-20190194390-A1 AMINO-POLYESTERS FOR DRUG DELIVERY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2019-06-27 US disclosed
US-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-06-14 US disclosed
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2008-10-02 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 (4 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-20120149630-A1 END-MODIFIED POLY(BETA-AMINO ESTERS) AND USES THEREOF PARN, PARG, POLL KISS1R 2381/4885HTR1B 1703/4885ALDH1A1 2664/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL KISS1R 2381/4885HTR1B 1703/4885ALDH1A1 2664/4885
US-20210388196-A1 GENE DELIVERY CARRIER PAICS, PBDC1, BCAT1 KISS1R 4437/4885HTR1B 4681/4885ALDH1A1 2765/4885
US-20190194390-A1 AMINO-POLYESTERS FOR DRUG DELIVERY DNPEP, NPEPPS, ANPEP KISS1R 3408/4885HTR1B 3061/4885ALDH1A1 1113/4885

“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.