SCHEMBL19980424

SCHEMBL19980424

c1ccc2c(c1)-c1ccccc1C21c2cnccc2-c2cccc3cccc1c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.39
HSD17B10 Q99714 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
ATM Q13315 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TNF P01375 1/20 0.39
MAOA P21397 2/20 0.37
MAOB P27338 1/20 0.37
HPGD P15428 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
TP53 P04637 1/20 0.36
HIF1A Q16665 1/20 0.36
MAPT P10636 4/20 0.35
HTT P42858 2/20 0.35
GAA P10253 1/20 0.35
PDK2 Q15119 2/20 0.35
KDM4E B2RXH2 6/20 0.34
SMN1; SMN2 Q16637 3/20 0.34

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
SCHEMBL19567028 1.00 MAPK1 (0.39) MAPK1HSD17B10ALDH1A1TSHRATM
SCHEMBL19578949 0.90 MAPK1 (0.39) MAPK1HSD17B10ALDH1A1TSHRATM
SCHEMBL19567026 0.90 MAPK1 (0.39) MAPK1HSD17B10ALDH1A1TSHRATM
SCHEMBL19009210 0.86 MAOA (0.47) TSHRL3MBTL1TNFMAOAMAOB
SCHEMBL30322774 0.86 MAOA (0.47) TSHRL3MBTL1TNFMAOAMAOB
SCHEMBL29516015 0.84 ALDH1A1 (0.54) MAPK1HSD17B10ALDH1A1TSHRATM
SCHEMBL19974426 0.84 ALDH1A1 (0.54) MAPK1HSD17B10ALDH1A1TSHRATM
SCHEMBL19980463 0.81 MAOA (0.33) TNFMAOAMAOBPDK2
SCHEMBL19980422 0.80 CYP1A2 (0.41) MAOAMAOBCYP1A2
SCHEMBL19548337 0.80 PDK2 (0.38) MAPK1HSD17B10ALDH1A1TSHRATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3512841-B1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2023-04-26 EP disclosed
US-11447464-B2 Compounds with spirobifluorene-structures MERCK PATENT GMBH (DE) 2022-09-20 US disclosed
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2019-06-27 US disclosed
WO-2018050584-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2018-03-22 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-11447464-B2 Compounds with spirobifluorene-structures SLCO1B3, SLCO4C1, SLCO1B1 MAPK1 2792/4885HSD17B10 1035/4885ALDH1A1 380/4885
US-20190194164-A1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES SLCO1B3, SLCO4C1, SLCO1B1 MAPK1 2792/4885HSD17B10 1035/4885ALDH1A1 380/4885

“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.