SCHEMBL485901

SCHEMBL485901

FCOc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR1B P28222 10/20 0.60
▸ KDM4E B2RXH2 3/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ KCNA3 P22001 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ HTR1D P28221 2/20 0.55
▸ SLC6A4 P31645 2/20 0.53
▸ HRH1 P35367 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ NR2E1 Q9Y466 1/20 0.51
▸ OGG1 O15527 1/20 0.50

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
SCHEMBL10458226 0.83 HTR1B (0.72) HTR1BKDM4EALDH1A1HPGDKCNA3
SCHEMBL16902842 0.82 HTR1B (0.64) HTR1BKDM4EALDH1A1HPGDKCNA3
SCHEMBL5289923 0.82 HTR1B (0.77) HTR1BKDM4EALDH1A1HPGDKCNA3
SCHEMBL7682354 0.81 DRD1 (0.50) KDM4EALDH1A1HPGDTDP1CYP1A2
SCHEMBL9770352 0.80 KCNA3 (0.81) HTR1BKCNA3TDP1HTR1DSLC6A4
SCHEMBL2177350 0.80 HTR1B (0.78) HTR1BKCNA3TDP1HTR1DSLC6A4
SCHEMBL6675778 0.80 HTR1B (0.62) HTR1BKDM4EALDH1A1HPGDKCNA3
SCHEMBL12154321 0.79 MAPT (0.57) HTR1BKDM4EALDH1A1HPGDKCNA3
SCHEMBL10698527 0.78 HTR1B (0.60) HTR1BKDM4EALDH1A1HPGDKCNA3
SCHEMBL16902855 0.78 KCNA3 (0.79) HTR1BKCNA3TDP1HTR1DSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10974235-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation TRUSTEES OF PRINCETON UNIVERSITY (US) 2021-04-13 — — US disclosed
US-10543481-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation TRUSTEES OF PRINCETON UNIVESITY (US) 2020-01-28 — — US disclosed
CN-105593217-B Terazololine-one compound and application thereof 住友化学株式会社 2018-05-25 — — CN disclosed
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-02-08 — — US disclosed
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2018-02-08 — — US disclosed
WO-2016130549-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-08-18 — — WO disclosed
US-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-06-09 — — US disclosed
US-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2016-06-09 — — US disclosed
EP-1836158-B1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES FOR USE AS CXCR2 INHIBITORS IN THE TREATMENT OF INFLAMMATION SANOFI AVENTIS DEUTSCHLAND (DE) 2012-02-01 — — 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 (4 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-20160158388-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 HTR1B 3216/4885KDM4E 1877/4885ALDH1A1 2126/4885
US-10543481-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation AFF2, CLTC, AFF4 HTR1B 3216/4885KDM4E 1877/4885ALDH1A1 2126/4885
US-20180037526-A1 TARGETED, METAL-CATALYZED FLUORINATION OF COMPLEX COMPOUNDS WITH FLUORIDE ION VIA DECARBOXYLATION AFF2, CLTC, AFF4 HTR1B 3216/4885KDM4E 1877/4885ALDH1A1 2126/4885
US-10974235-B2 Targeted, metal-catalyzed fluorination of complex compounds with fluoride ion via decarboxylation AFF2, CLTC, AFF4 HTR1B 3216/4885KDM4E 1877/4885ALDH1A1 2126/4885

“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.

Send feedback