SCHEMBL6904094

SCHEMBL6904094

CCOCCOCc1ccc(Br)c(COCCOCC)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
THRB P10828 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.31
PTPN1 P18031 1/20 0.31
IDO1 P14902 1/20 0.31

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
SCHEMBL5424200 0.81 SLC6A2 (0.36) RAB9AHPGDNPC1GAAFFAR4
SCHEMBL4413276 0.80 CYP4F2 (0.37) RAB9AHPGDFFAR4ALDH1A1KMT2A
SCHEMBL2293511 0.80 ALDH1A1 (0.33) RAB9AFFAR4ALDH1A1KMT2A
SCHEMBL5411792 0.79 IDO1 (0.40) HPGDIDO1
SCHEMBL4757401 0.79 IDO1 (0.50) LMNARAB9AHPGDNPC1GAA
SCHEMBL2599655 0.79 ALDH1A1 (0.35) RAB9AHPGDGAAFFAR4ALDH1A1
SCHEMBL31377067 0.79 FFAR4 (0.32) RAB9AFFAR4ALDH1A1KMT2ATHRB
SCHEMBL2761376 0.79 ALDH1A1 (0.35) RAB9AFFAR4ALDH1A1KMT2AHTT
SCHEMBL29800004 0.79 ALDH1A1 (0.35) RAB9AFFAR4ALDH1A1KMT2AHTT
SCHEMBL500206 0.79 FFAR4 (0.32) FFAR4PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040044232-A1 Production methods of citalopram and intermediates therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-03-04 US disclosed
US-20020151728-A1 Production methods of 5-phthalancarbonitrile compound and an intermediate therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2002-10-17 US disclosed
US-20010056194-A1 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-12-27 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 (3 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-20010056194-A1 Production method of 5-phthalancarbonitrile compound, intermediate therefor and production method of the intermediate SLC39A11, CYP4F11, SLC39A14 LMNA 3508/4885RAB9A 3171/4885HPGD 1959/4885
US-20020151728-A1 Production methods of 5-phthalancarbonitrile compound and an intermediate therefor SLC39A11, CYP4F11, SLC39A14 LMNA 4006/4885RAB9A 3178/4885HPGD 1976/4885
US-20040044232-A1 Production methods of citalopram and intermediates therefor PPIF, SLC39A11, CYP4F11 LMNA 2954/4885RAB9A 3861/4885HPGD 1318/4885

“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.