SCHEMBL7262297

SCHEMBL7262297

NCCOCCOCCOCCNCCOCCOCCOCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.42
CA6 P23280 5/20 0.42
CA7 P43166 5/20 0.42
CA9 Q16790 5/20 0.42
CA14 Q9ULX7 5/20 0.42
CA5B Q9Y2D0 5/20 0.42
RECQL P46063 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CA2 P00918 4/20 0.40
CA4 P22748 4/20 0.40
CA5A P35218 4/20 0.40
LMNA P02545 3/20 0.40
CA3 P07451 3/20 0.40
ALOX15 P16050 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CA1 P00915 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL9437143 1.00 CA12 (0.42) CA12CA6CA7CA9CA14
SCHEMBL770197 0.97 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL8874005 0.92 CA12 (0.56) CA12CA6CA7CA9CA14
SCHEMBL10151431 0.88 MEN1 (0.50) CA12CA6CA7CA9CA14
SCHEMBL14980618 0.88 TSHR (0.42) CA12CA6CA7CA9CA14
SCHEMBL19189861 0.88 MEN1 (0.50) CA12CA6CA7CA9CA14
SCHEMBL8330702 0.88 KDM4E (0.41) CA12CA6CA7CA9CA14
SCHEMBL18593493 0.88 KDM4E (0.49) CA12CA6CA7CA9CA14
SCHEMBL13520206 0.88 TSHR (0.38) CA12CA6CA7CA9CA14
SCHEMBL13736532 0.86 CA12 (0.44) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11181521-B2 Intra-droplet surface engineering to capture a molecular target UNIVERSITE DE STRASBOURG (FR) 2021-11-23 US disclosed
EP-3736572-A1 INTRA-DROPLET SURFACE ENGINEERING TO CAPTURE A MOLECULAR TARGET Université de Strasbourg (FR) 2020-11-11 EP disclosed
EP-3440463-B1 INTRA-DROPLET SURFACE ENGINEERING TO CAPTURE A MOLECULAR TARGET UNIV STRASBOURG (FR) 2020-07-08 EP disclosed
US-20190113509-A1 INTRA-DROPLET SURFACE ENGINEERING TO CAPTURE A MOLECULAR TARGET CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2019-04-18 US disclosed
WO-2017174610-A1 INTRA-DROPLET SURFACE ENGINEERING TO CAPTURE A MOLECULAR TARGET UNIVERSITE DE STRASBOURG (FR) 2017-10-12 WO disclosed
US-20120189601-A1 ASSISTED ENZYME REPLACEMENT THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-26 US disclosed
US-20120189601-A1 ASSISTED ENZYME REPLACEMENT THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-07-26 US disclosed
US-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs DRUG INNOVATION & DESIGN, INC. 2003-07-24 US disclosed
EP-1255567-A1 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES Drug Innovation & Design, Inc. (US) 2002-11-13 EP disclosed
WO-2001036003-A2 SELECTIVE CELLULAR TARGETING: MULTIFUNCTIONAL DELIVERY VEHICLES DRUG INNOVATION & DESIGN, INC. (US) 2001-05-25 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 (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-20030138432-A1 Selective cellular targeting: multifunctional delivery vehicles, multifunctional prodrugs, use as antineoplastic drugs PAICS, ABCB1, ABCG2 CA12 1525/4885CA6 454/4885CA7 917/4885
US-20120189601-A1 ASSISTED ENZYME REPLACEMENT THERAPY GAA, GLA, ENPEP CA12 1046/4885CA6 1157/4885CA7 1173/4885

“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.