SCHEMBL4416528

SCHEMBL4416528

O=C(O)Cc1sccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.43
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
GAA P10253 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
BLM P54132 2/20 0.41
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
NFKB1 P19838 2/20 0.41
RGS12 O14924 1/20 0.41
LMNA P02545 1/20 0.41
APEX1 P27695 1/20 0.41
THPO P40225 1/20 0.41
GNAI1 P63096 1/20 0.41
PMP22 Q01453 1/20 0.41
HIF1A Q16665 1/20 0.41
CA2 P00918 2/20 0.40
CAMK2A Q9UQM7 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
SCHEMBL11538297 0.81 ALOX5 (0.33) KDM4EMAPTTDP1BLMALDH1A1
SCHEMBL29274373 0.79 LTB4R (0.43) KDM4EMAPTTDP1HPGDHSD17B10
SCHEMBL10424599 0.78 AKR1B1 (0.43) AKR1B1KDM4EMAPTTDP1POLB
SCHEMBL11241878 0.77 CES1 (0.44) AKR1B1TDP1ALDH1A1MEN1KMT2A
SCHEMBL7961734 0.77 ADAMTS5 (0.40) AKR1B1KDM4EMAPTHPGDHSD17B10
SCHEMBL2778669 0.77 MEN1 (0.43) AKR1B1KDM4EMAPTGAATDP1
SCHEMBL11186584 0.77 ALDH1A1 (0.38) AKR1B1KDM4EMAPTHPGDHSD17B10
SCHEMBL3632023 0.77 ALDH1A1 (0.45) AKR1B1KDM4EMAPTHPGDHSD17B10
SCHEMBL1295399 0.77 ALOX5 (0.51) KDM4EPOLBALDH1A1MEN1KMT2A
SCHEMBL15380492 0.77 LTB4R (0.47) AKR1B1KDM4EHPGDHSD17B10POLB

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
CN-102648195-B Novel spiropiperidine compounds LILLY CO ELI 2015-01-07 CN disclosed
US-20090326004-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-31 US disclosed
EP-2130830-A1 Muscarinic receptor antagonists Ranbaxy Laboratories Limited (IN) 2009-12-09 EP disclosed
US-4508649-A Process for preparing optically active penems FARMITALIA CARLO ERBA (IT) 1985-04-02 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-20090326004-A1 MUSCARINIC RECEPTOR ANTAGONISTS LTB4R2, LTB4R, LTC4S AKR1B1 545/4885KDM4E 2709/4885MAPT 3886/4885

“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.