SCHEMBL20201962

SCHEMBL20201962

CCc1cccc(OCC(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPK1 P28482 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
SOD1 P00441 1/20 0.48
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
POLB P06746 2/20 0.42
GAA P10253 1/20 0.41
HDAC4 P56524 1/20 0.40
MEF2D Q14814 1/20 0.40
BCHE P06276 1/20 0.40

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
SCHEMBL322457 0.84 KDM4E (0.50) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL12075473 0.83 MAPK1 (0.48) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL12075461 0.83 MAPK1 (0.48) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL4164639 0.82 HCRTR1 (0.42) ALDH1A1MAPK1TSHRHCRTR1HCRTR2
SCHEMBL11162901 0.81 GPBAR1 (0.50) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL9326234 0.81 TAAR1 (0.53) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL9122825 0.81 LMNA (0.59) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL9121963 0.81 TSHR (0.48) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL19944724 0.81 KDM4E (0.49) ALDH1A1KDM4EMAPK1L3MBTL1TSHR
SCHEMBL10289884 0.79 KDM4E (0.53) ALDH1A1KDM4EMAPK1L3MBTL1TSHR

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-11702422-B2 Imidazopyridazines as modulators of IL-17 JANSSEN PHARMACEUTICA NV (BE) 2023-07-18 US disclosed
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 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 (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-11702422-B2 Imidazopyridazines as modulators of IL-17 IL17A, IL23R, IL15 ALDH1A1 164/4885KDM4E 2583/4885MAPK1 2215/4885

“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.