SCHEMBL4915901

SCHEMBL4915901

CC(C)(C)NCCNCCN(CCN)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 3/20 0.31
LMNA P02545 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
ALOX15 P16050 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL4918320 1.00 CYP2C9 (0.36) CYP2C9CYP2C19TDP1LMNACA12
SCHEMBL4908359 0.88
SCHEMBL10108995 0.86 CYP2C19 (0.50) CYP2C9CYP2C19TDP1LMNACA12
SCHEMBL10108794 0.84 CYP2C19 (0.52) CYP2C9CYP2C19TDP1LMNACA12
SCHEMBL18677086 0.84 CYP2C9 (0.38) CYP2C9CYP2C19CA12CA6CA7
SCHEMBL10108999 0.80 CYP2C19 (0.56) CYP2C9CYP2C19TDP1LMNACA12
SCHEMBL23153211 0.79 CYP2C9 (0.38) CYP2C9CYP2C19TDP1
SCHEMBL9738325 0.77 TDP1 (0.32) CYP2C9CYP2C19TDP1
SCHEMBL861103 0.75 CA12 (0.58) CYP2C9CYP2C19TDP1LMNACA12
SCHEMBL861101 0.75 CA12 (0.58) CYP2C9CYP2C19TDP1LMNACA12

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 13 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
EP-3390483-B1 ENCAPSULATION PROCTER & GAMBLE (US) 2022-05-18 EP disclosed
EP-3368207-B1 ENCAPSULATION ENCAPSYS LLC (US) 2021-12-01 EP disclosed
US-10864167-B2 Encapsulation THE PROCTER & GAMBLE COMPANY (US) 2020-12-15 US disclosed
US-20180235893-A1 ENCAPSULATION THE PROCTER & GAMBLE COMPANY 2018-08-23 US disclosed
US-9937477-B2 Encapsulation WATERTITE PRODUCTS, INC. 2018-04-10 US disclosed
EP-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
US-20170113200-A1 Encapsulation Encapsys,LLC (US) 2017-04-27 US 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 (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-20180235893-A1 ENCAPSULATION ACR, ACMSD, SAMM50 CYP2C9 2054/4885CYP2C19 1591/4885TDP1 810/4885
US-10864167-B2 Encapsulation ACR, MPHOSPH6, ACMSD CYP2C9 2162/4885CYP2C19 1634/4885TDP1 653/4885

“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.