SCHEMBL7474052

SCHEMBL7474052

CCCCN(CCCC)c1ccc(C(=O)c2ccccc2C(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
KDM4E B2RXH2 1/20 0.68
POLB P06746 1/20 0.68
GAA P10253 1/20 0.68
AKR1C3 P42330 3/20 0.54
CDC25B P30305 2/20 0.51
ATM Q13315 1/20 0.51
EGFR P00533 3/20 0.51
ERBB2 P04626 3/20 0.51
NR4A1 P22736 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CDC25A P30304 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CNR2 P34972 1/20 0.47
LMNA P02545 1/20 0.47
AGTR1 P30556 1/20 0.45
ALOX5 P09917 1/20 0.44

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
SCHEMBL6946566 0.91 AKR1C3 (0.57) ALDH1A1KDM4EPOLBGAAAKR1C3
SCHEMBL10637741 0.88 POLB (0.58) ALDH1A1KDM4EPOLBGAAAKR1C3
SCHEMBL5281386 0.86 HPGD (0.56) ALDH1A1KDM4EPOLBGAAEGFR
SCHEMBL1977600 0.85 MEN1 (0.65) ALDH1A1KDM4EPOLBGAAAKR1C3
SCHEMBL1827424 0.83 EGFR (0.59) ALDH1A1KDM4EPOLBGAAEGFR
SCHEMBL472266 0.81 EGFR (0.58) ALDH1A1KDM4EPOLBGAAEGFR
SCHEMBL267885 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EPOLBGAACDC25B
SCHEMBL16937421 0.81 RAB9A (0.53) ALDH1A1KDM4EPOLBGAAEGFR
SCHEMBL1962996 0.81 RAB9A (0.53) ALDH1A1KDM4EPOLBGAAEGFR
SCHEMBL10637704 0.80 AKR1C3 (0.48) ALDH1A1KDM4EPOLBGAAAKR1C3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10711027-B2 DNA polymerase beta inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2020-07-14 US disclosed
US-20190202853-A1 DNA POLYMERASE BETA INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2019-07-04 US disclosed
EP-0664292-B1 A phtalide compound and a near infrared absorber and a recording material each comprising the same compound YAMAMOTO CHEMICALS INC (JP) 2002-06-19 EP disclosed
US-5627287-A COLORLESS YAMAMOTO CHEMICALS, INC. (JP) 1997-05-06 US disclosed
EP-0664292-A1 A phtalide compound and a near infrared absorber and a recording material each comprising the same compound YAMAMOTO CHEMICALS, INC. (JP) 1995-07-26 EP disclosed
EP-0581589-A2 Phthalide compounds, and recording materials using the compounds YAMAMOTO CHEMICALS, INC. (JP) 1994-02-02 EP disclosed
EP-0107780-B1 FLUORAN COMPOUNDS HODOGAYA CHEMICAL CO., LTD. (JP) 1987-11-04 EP 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-10711027-B2 DNA polymerase beta inhibitors POLB, POLH, POLN ALDH1A1 908/4885KDM4E 3702/4885POLB 1/4885
US-20190202853-A1 DNA POLYMERASE BETA INHIBITORS POLB, POLH, POLN ALDH1A1 908/4885KDM4E 3702/4885POLB 1/4885

“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.