SCHEMBL17801223

SCHEMBL17801223

Cc1cc(N2CCN(C(=O)O)CC2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.51
GAA P10253 2/20 0.51
ALDH1A1 P00352 3/20 0.49
GFER P55789 2/20 0.49
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 3/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
AKR1C3 P42330 1/20 0.42
CASP6 P55212 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACHE P22303 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PKM P14618 1/20 0.41
PRKDC P78527 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
SCHEMBL2021224 0.87 MAPT (0.66) MAPTGAAALDH1A1GFERTSHR
SCHEMBL11299225 0.83 GAA (0.59) MAPTGAAALDH1A1GFERTSHR
SCHEMBL28747907 0.83 MAPT (0.50) MAPTGAAALDH1A1GFERTSHR
SCHEMBL17801101 0.83 USP2 (0.54) MAPTGAAALDH1A1TSHRKDM4E
SCHEMBL23244333 0.81 ME2 (0.67) MAPTALDH1A1GFERTSHRKDM4E
SCHEMBL29577255 0.81 ME2 (0.67) MAPTALDH1A1GFERTSHRKDM4E
SCHEMBL16695925 0.80 MAPT (0.57) MAPTGAAALDH1A1TSHRKDM4E
SCHEMBL18470907 0.80 TDP1 (0.52) MAPTGAAALDH1A1LMNAHTT
SCHEMBL10486194 0.79 HPGD (0.51) MAPTGAAALDH1A1GFERKDM4E
SCHEMBL17807407 0.78 ADRB1 (0.43) MAPTGAAALDH1A1GFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295133-A1 PROCESS FOR PREPARING A COMPOUND USEFUL TO TREAT MYCOSES PULMOCIDE LIMITED (GB) 2023-09-21 US disclosed
CN-107635988-A Antimycotic 4 (4 (4 (((3R, 5R) 5 ((1H 1,2, the base of 4 triazole 1) methyl) 5 (2,4 difluorophenyl) tetrahydrofuran, 3 base) methoxyl group) 3 aminomethyl phenyls) 1 base of piperazine) N (2 hydroxy-cyclohexyl) benzamides or its officinal salt 普尔莫赛德有限公司 2018-01-26 CN disclosed
EP-3227277-A1 ANTIMYCOTIC COMPOUND Pulmocide Limited (GB) 2017-10-11 EP disclosed
EP-3227278-A1 ANTIMYCOTIC COMPOUND Pulmocide Limited (GB) 2017-10-11 EP disclosed
WO-2016087878-A1 ANTIMYCOTIC COMPOUND PULMOCIDE LIMITED (GB) 2016-06-09 WO disclosed
WO-2016087880-A1 ANTIMYCOTIC COMPOUND PULMOCIDE LIMITED (GB) 2016-06-09 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-20230295133-A1 PROCESS FOR PREPARING A COMPOUND USEFUL TO TREAT MYCOSES DPM1, CYP51A1, ERG28 MAPT 2626/4885GAA 71/4885ALDH1A1 2345/4885

“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.