SCHEMBL20045227

SCHEMBL20045227

O=C(NC1CCC(COCCC(F)(F)F)CC1)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.56
EPHX1 P07099 1/20 0.50
DPP4 P27487 7/20 0.48
DPP7 Q9UHL4 7/20 0.48
KCNH2 Q12809 4/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TLR4 O00206 1/20 0.43

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
SCHEMBL18505654 1.00 ALDH1A1 (0.58) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948461 0.80 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948456 0.80 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL381922 0.80 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL15944853 0.80 ALDH1A1 (0.71) ALDH1A1GAATSHREPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.79 ALDH1A1 (0.83) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL26691468 0.79 ALDH1A1 (0.66) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL2681634 0.78 ALDH1A1 (0.72) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL856166 0.78 ALDH1A1 (0.72) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL856165 0.78 ALDH1A1 (0.72) ALDH1A1GAATSHREPHX1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385052-B2 Tricyclic compound and JAK inhibitor NISSAN CHEMICAL CORPORATION (JP) 2019-08-20 US disclosed
US-20180099966-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-04-12 US disclosed
US-20180099966-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-04-12 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 (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-20180099966-A1 TRICYCLIC COMPOUND AND JAK INHIBITOR JAK1, JAK3, JAK2 ALDH1A1 2772/4885GAA 3463/4885TSHR 1371/4885
US-10385052-B2 Tricyclic compound and JAK inhibitor JAK1, JAK3, JAK2 ALDH1A1 2746/4885GAA 3582/4885TSHR 1433/4885

“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.