SCHEMBL2559458

SCHEMBL2559458

O=Cc1ccccc1OCCF

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.77
HPGD P15428 1/20 0.77
HTT P42858 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
PTGDR2 Q9Y5Y4 1/20 0.58
MAPT P10636 1/20 0.51
KMT2A Q03164 5/20 0.50
LMNA P02545 3/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 3/20 0.49
SRC P12931 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAD52 P43351 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL31371989 0.91 ALDH1A1 (0.75) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL6914412 0.87 ALDH1A1 (1.00) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL834422 0.86 ALDH1A1 (0.73) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL10458167 0.85 ALDH1A1 (0.56) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL29935631 0.85 ALDH1A1 (0.56) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL31132366 0.85 ALDH1A1 (0.56) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL28623220 0.85 ALDH1A1 (0.56) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL8372730 0.85 ALDH1A1 (0.87) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL5805320 0.85 ALDH1A1 (0.87) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2
SCHEMBL450781 0.84 ALDH1A1 (0.77) ALDH1A1HPGDHTTSMN1; SMN2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN claimed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230145249-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-05-11 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2012128582-A2 A COMPOUND FOR INHIBITING HUMAN 11-β-HYDROXY STEROID DEHYDROGENASE TYPE 1, AND A PHARMACEUTICAL COMPOSITION COMPRISING THE SAME HYUNDAI PHARM CO., LTD. (KR) 2012-09-27 WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-4960884-A Insecticides, nematocides, pesticides and miticides FMC CORPORATION (US) 1990-10-02 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 (4 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885HPGD 1749/4885HTT 3293/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH ALDH1A1 587/4885HPGD 815/4885HTT 3651/4885
US-20230145249-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885HPGD 1749/4885HTT 3293/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885HPGD 1749/4885HTT 3293/4885

“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.