SCHEMBL5147869

SCHEMBL5147869

CCCCCOc1ccc(-c2cc(-c3ccc(C(=O)OC)cc3)no2)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.63
CYP1A2 P05177 1/20 0.55
CYP19A1 P11511 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
ALPL P05186 1/20 0.54
FAAH O00519 1/20 0.53
CXCR1 P25024 3/20 0.53
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RARB P10826 3/20 0.50
PLA2G2A P14555 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL7333704 1.00 SMPD1 (0.63) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2356088 0.99 SMPD1 (0.61) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2350269 0.99 SMPD1 (0.61) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2351006 0.98 SMPD1 (0.65) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL6132917 0.91 SMPD1 (0.57) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL6132232 0.91 SMPD1 (0.57) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL7333208 0.90 SMPD1 (0.58) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL7403884 0.90 RARB (0.64) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL2353533 0.90 RARB (0.64) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL903875 0.90 SMPD1 (0.61) SMPD1CYP1A2CYP19A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143749-A Strain for high-yield FR901379 and construction method and application thereof 中国科学院青岛生物能源与过程研究所 2023-12-01 CN disclosed
CN-114874919-A Micafungin precursor FR901379 high-yield strain and application thereof 中国科学院青岛生物能源与过程研究所 2022-08-09 CN disclosed
US-7199248-B2 Process ASTELLAS PHARMA INC. (JP) 2007-04-03 US disclosed
US-20050227914-A1 New process FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-10-13 US disclosed
WO-2004014879-A1 NEW PROCESS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-02-19 WO disclosed
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6455726-B2 STARTING MATERIALS FOR FUNGICIDES OF LIPOPEPTIDE TYPE; ISOMER/IMPURITY FREE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-24 US disclosed
US-6291680-B1 REACTING 1-AMINO-3-OXO-1-PROPENE DERIVATIVE WITH HYDROXYLAMINE SALT TO PROVIDE 4-(5-(4-PENTYLOXYPHENYL)-ISOXAZOL-3-YL)BENZOATE COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-09-18 US disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-20010008943-A1 Novel manufacturing method FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-19 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0994101-A1 NEW PRODUCTION PROCESS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 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-20050227914-A1 New process CA2, AKR1C3, AGTR2 SMPD1 2414/4885CYP1A2 5/4885CYP19A1 171/4885
US-20010008943-A1 Novel manufacturing method ALKBH3, CMA1, ALKBH1 SMPD1 1867/4885CYP1A2 44/4885CYP19A1 465/4885

“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.