SCHEMBL9947079

SCHEMBL9947079

CC(C)CCNCCNCCN

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.58
CA6 P23280 5/20 0.58
CA7 P43166 5/20 0.58
CA9 Q16790 5/20 0.58
CA14 Q9ULX7 5/20 0.58
CA5B Q9Y2D0 5/20 0.58
CA2 P00918 4/20 0.58
CA4 P22748 4/20 0.58
CA5A P35218 4/20 0.58
LMNA P02545 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
CA3 P07451 3/20 0.58
ALOX15 P16050 3/20 0.58
CA1 P00915 2/20 0.58
ALDH1A1 P00352 1/20 0.58
TP53 P04637 1/20 0.58
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 2/20 0.53
RECQL P46063 2/20 0.53
KMT2A Q03164 2/20 0.53

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
SCHEMBL9947083 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL14030772 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL13937600 0.97
Methane SCHEMBL4917736 0.95 CA12 (0.53) CA12CA6CA7CA9CA14
SCHEMBL19841887 0.92 CA12 (0.60) CA12CA6CA7CA9CA14
SCHEMBL8352020 0.87 CA12 (0.57) CA12CA6CA7CA9CA14
SCHEMBL3296405 0.86 LMNA (0.33) CA12CA6CA7CA9CA14
SCHEMBL12976429 0.86 LMNA (0.33) CA12CA6CA7CA9CA14
Hydrochloric Acid SCHEMBL11553303 0.85 UBE2N (0.59) CA12CA6CA7CA9CA14
SCHEMBL12335786 0.85 CA12 (0.59) CA12CA6CA7CA9CA14

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-20210388196-A1 GENE DELIVERY CARRIER MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2021-12-16 US disclosed
WO-2020027304-A1 NOVEL CAROTENOID-RELATED DERIVATIVES, AND SALTS, ESTERS, OR AMIDES THEREOF アスタファーマシューティカルズ株式会社 2020-02-06 WO disclosed
US-20170073305-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE CATABASIS PHARMACEUTICALS, INC. 2017-03-16 US disclosed
US-20130059801-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE CATABASIS PHARMACEUTICALS, INC. (US) 2013-03-07 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 (5 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 CA12 3796/4885CA6 1931/4885CA7 1986/4885
US-20080242626-A1 End-Modified Poly(beta-amino esters) and Uses Thereof PARN, PARG, POLL CA12 3796/4885CA6 1931/4885CA7 1986/4885
US-20130059801-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE FASN, FADS1, ELOVL5 CA12 2095/4885CA6 1680/4885CA7 2239/4885
US-20210388196-A1 GENE DELIVERY CARRIER PAICS, PBDC1, BCAT1 CA12 1869/4885CA6 1583/4885CA7 2328/4885
US-20170073305-A1 FATTY ACID AMIDES, COMPOSITIONS AND METHODS OF USE FASN, FADS1, ELOVL5 CA12 2095/4885CA6 1680/4885CA7 2239/4885

“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.