SCHEMBL3674229

SCHEMBL3674229

C1CCCCN2CCCCCCCCN(CCC1)CCCCCCCC2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.40
CA1 P00915 5/20 0.33
CA2 P00918 5/20 0.33
ALDH1A1 P00352 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 1/20 0.33
CA12 O43570 2/20 0.32
CA9 Q16790 2/20 0.32
F2 P00734 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HPGD P15428 1/20 0.30
PIN1 Q13526 1/20 0.30
PHGDH O43175 1/20 0.30
ALDH2 P05091 1/20 0.30
FBP1 P09467 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
SCHEMBL10926074 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL9501105 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL19474824 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL19593693 1.00 MGLL (0.40) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL8825927 0.95 MGLL (0.38) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL17603026 0.95 MGLL (0.38) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL14433301 0.95 MGLL (0.38) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL13835372 0.95 MGLL (0.38) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL12912977 0.95 MGLL (0.38) MGLLCA1CA2ALDH1A1HRH3
SCHEMBL514846 0.94 MGLL (0.33) MGLL

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
WO-2023278649-A1 STABILIZED UV ACTIVE ORGANOPALLADIUM COMPOUNDS AS VINYL ADDITION CATALYSTS PROMERUS, LLC (US) 2023-01-05 WO claimed
EP-0041175-B2 ION SPECIFIC ANALYTICAL ELEMENT MILES INC. (US) 1993-06-09 EP claimed
EP-0119431-B1 METHOD OF PREPARING ERYTHROMYCIN A CYCLIC 11,12-CARBONATE Tarchominskie Zaklady Farmaceutyczne "Polfa" (PL) 1987-09-16 EP claimed
EP-0041175-B1 ION SPECIFIC ANALYTICAL ELEMENT MILES INC. (US) 1985-11-21 EP claimed
US-11124481-B2 Method of preparing fluorine-18 labeled Cabozantinib and its analogs EXELIXIS, INC. (US) 2021-09-21 US disclosed
US-20170217896-A1 Method of Preparing Fluorine-18 Labeled Cabozantinib and Its Analogs BRISTOL-MYERS SQUIBB COMPANY 2017-08-03 US disclosed
US-20160022842-A1 FORMATION AND USES OF EUROPIUM WAYNE STATE UNIVERSITY (US) 2016-01-28 US disclosed
EP-2164327-A2 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2010-03-24 EP disclosed
WO-2009025914-A2 RADIOLABELLED FLUOROBENZAMIDE ANALOGUES, THEIR SYNTHESIS AND USE IN DIAGNOSTIC IMAGING WASHINGTON UNIVERSITY (US) 2009-02-26 WO disclosed
US-20070180688-A1 METHOD FOR PRODUCING A LITHIUM SECONDARY BATTERY CANON KABUSHIKI KAISHA (JP) 2007-08-09 US disclosed
US-7081320-B2 High energy density secondary battery for repeated use CANON KABUSHIKI KAISHA (JP) 2006-07-25 US disclosed
US-6391492-B1 OXIDATION OF TITANIUM, VANADIUM, CHROMIUM, MANGANESE, IRON, COBALT, NICKEL OR COPPER BY REACTION TRANSITION METAL COMPOUND WITH WATER, ALCOHOL, OR HYDROXIDE; LITHIUM BATTERIES; DURABILITY CANON KABUSHIKI KAISHA (JP) 2002-05-21 US disclosed
US-6207326-B1 ANODES AND CATHODES WITH NITROGEN AND HALOGEN CANON KABUSHIKI KAISHA (JP) 2001-03-27 US disclosed
EP-0119431-B1 METHOD OF PREPARING ERYTHROMYCIN A CYCLIC 11,12-CARBONATE Tarchominskie Zaklady Farmaceutyczne "Polfa" (PL) 1987-09-16 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 (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-11124481-B2 Method of preparing fluorine-18 labeled Cabozantinib and its analogs FGFR1, PDGFRA, KIF18B MGLL 4062/4885CA1 325/4885CA2 367/4885
US-20160022842-A1 FORMATION AND USES OF EUROPIUM LETM1, CECR2, MCU MGLL 58/4885CA1 1037/4885CA2 1081/4885
US-20170217896-A1 Method of Preparing Fluorine-18 Labeled Cabozantinib and Its Analogs FGFR1, PDGFRA, KIF18B MGLL 4062/4885CA1 325/4885CA2 367/4885

“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.