SCHEMBL4908680

SCHEMBL4908680

CC(C)NCCNCCNCCN

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
SCHEMBL19257448 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL757066 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL19257457 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL4918920 1.00 CA12 (0.58) CA12CA6CA7CA9CA14
SCHEMBL24001448 0.90 CA12 (0.52) CA12CA6CA7CA9CA14
SCHEMBL4746164 0.86 LMNA (0.32) CA12CA6CA7CA9CA14
SCHEMBL4745076 0.86 LMNA (0.32) CA12CA6CA7CA9CA14
SCHEMBL17766691 0.86 LMNA (0.32) CA12CA6CA7CA9CA14
SCHEMBL4745112 0.86 LMNA (0.32) CA12CA6CA7CA9CA14
SCHEMBL17766693 0.86 LMNA (0.32) 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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP claimed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP claimed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 US claimed
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF TUFTS COLLEGE 2024-06-27 US disclosed
US-20230330275-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2023-10-19 US disclosed
US-11707539-B2 FAP-targeted radiopharmaceuticals and imaging agents, and uses related thereto TRUSTEES OF TUFTS COLLEGE (US) 2023-07-25 US disclosed
US-11696953-B2 Poly(beta-amino esters) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-07-11 US disclosed
US-20220211883-A1 FAP-ACTIVATED RADIOTHERANOSTICS AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2022-07-07 US disclosed
US-11147889-B2 Albumin-binding PSMA inhibitors CANCER TARGETED TECHNOLOGY LLC (US) 2021-10-19 US disclosed
US-20200172663-A1 POLYMER-LIPIDS AND COMPOSITIONS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2020-06-04 US disclosed
US-20200061218-A1 Albumin-Binding PSMA Inhibitors CANCER TARGETED TECHNOLOGY LLC 2020-02-27 US disclosed
US-20190125874-A1 POLY (BETA-AMINO ESTERS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2019-05-02 US disclosed
WO-2018098390-A1 ALBUMIN-BINDING PSMA INHIBITORS CANCER TARGETED TECHNOLOGY LLC (US) 2018-05-31 WO disclosed
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
US-8552078-B2 Non-fugitive tertiary amine catalyst and alkylated polyamine crosslinking additives; aging resistance AIR PRODUCTS AND CHEMICALS, INC. (US) 2013-10-08 US disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed
US-20080090922-A1 Crosslinkers for improving stability of polyurethane foams EVONIK OPERATIONS GMBH (DE) 2008-04-17 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 (9 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-20200172663-A1 POLYMER-LIPIDS AND COMPOSITIONS PHOSPHO1, PEBP1, PBDC1 CA12 1831/4885CA6 1140/4885CA7 2235/4885
US-20230330275-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO FAP, APC, FIBP CA12 1825/4885CA6 1367/4885CA7 1493/4885
US-20190125874-A1 POLY (BETA-AMINO ESTERS) AND USES THEREOF BCAT1, BCAT2, SNRPE CA12 2268/4885CA6 2620/4885CA7 3039/4885
US-11147889-B2 Albumin-binding PSMA inhibitors PSMA1, ALB, PSMA2 CA12 77/4885CA6 366/4885CA7 301/4885
US-11707539-B2 FAP-targeted radiopharmaceuticals and imaging agents, and uses related thereto FAP, APC, FIBP CA12 1825/4885CA6 1367/4885CA7 1493/4885
US-20220211883-A1 FAP-ACTIVATED RADIOTHERANOSTICS AND USES RELATED THERETO FAP, FIBP, FGFR1 CA12 2444/4885CA6 1241/4885CA7 1154/4885
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS BCL6B, BCL6, BTD CA12 95/4885CA6 20/4885CA7 38/4885
US-11696953-B2 Poly(beta-amino esters) and uses thereof BCAT1, BCAT2, SNRPE CA12 2268/4885CA6 2620/4885CA7 3039/4885
US-20200061218-A1 Albumin-Binding PSMA Inhibitors PSMA1, ALB, PSMA2 CA12 77/4885CA6 366/4885CA7 301/4885

“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.