SCHEMBL19880725

SCHEMBL19880725

ISOCCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.55
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ CASP1 P29466 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ DRD3 P35462 2/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ ADRA1A P35348 1/20 0.42

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
SCHEMBL19880682 0.94 IDO1 (0.48) IDO1LMNAALDH1A1HPGDALOX15
SCHEMBL19880675 0.92 SIGMAR1 (0.47) IDO1SIGMAR1MAOATDP1FFAR1
SCHEMBL19880687 0.87 ALDH1A1 (0.48) IDO1ALDH1A1HPGDALOX15ALOX12
SCHEMBL18802189 0.79 IDO1 (0.61) IDO1LMNASIGMAR1MAOAMEN1
SCHEMBL20131148 0.79 IDO1 (0.55) IDO1LMNASIGMAR1MAOADRD3
SCHEMBL21472357 0.78 TSHR (0.54) IDO1ALDH1A1TDP1SMN1; SMN2HRH3
SCHEMBL21471971 0.76 TSHR (0.52) IDO1LMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL20990572 0.76 TSHR (0.52) IDO1LMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL21472358 0.76 TSHR (0.52) IDO1LMNAALDH1A1TDP1SMN1; SMN2
SCHEMBL18495415 0.76 TSHR (0.52) IDO1LMNAALDH1A1TDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9895454-B2 Metal oxide catalyzed radiofluorination THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-02-20 — — US disclosed
US-20170224851-A1 METAL OXIDE CATALYZED RADIOFLUORINATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-08-10 — — 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 (1 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-20170224851-A1 METAL OXIDE CATALYZED RADIOFLUORINATION TRHDE, TPO, TERT IDO1 818/4885LMNA 3604/4885ALDH1A1 1513/4885

“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.

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