SCHEMBL22190045

SCHEMBL22190045

NC(Cc1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.62
HIF1A Q16665 1/20 0.62
CYP1A2 P05177 6/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
SLC6A2 P23975 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
KIF11 P52732 3/20 0.45
ARG1 P05089 1/20 0.45
ARG2 P78540 1/20 0.45
MAPK1 P28482 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 1/20 0.44
BLM P54132 1/20 0.42
FDPS P14324 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 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
Methane SCHEMBL29238356 0.98 SMN1; SMN2 (0.60) SMN1; SMN2HIF1ACYP1A2CYP2C19CYP2C9
SCHEMBL20268313 0.88 SMN1; SMN2 (0.53) SMN1; SMN2HIF1ACYP1A2KIF11MEN1
SCHEMBL20290815 0.88 SMN1; SMN2 (0.53) SMN1; SMN2HIF1ACYP1A2SLC6A2KIF11
SCHEMBL20268310 0.88 SMN1; SMN2 (0.53) SMN1; SMN2HIF1ACYP1A2KIF11MEN1
SCHEMBL20290780 0.88 SMN1; SMN2 (0.53) SMN1; SMN2HIF1ACYP1A2SLC6A2TAAR1
SCHEMBL27979604 0.86 SMN1; SMN2 (0.55) SMN1; SMN2HIF1ACYP1A2CYP2C19CYP2C9
SCHEMBL29415188 0.85 MMP1 (0.50) SMN1; SMN2HIF1A
SCHEMBL20290760 0.84 SMN1; SMN2 (0.49) SMN1; SMN2HIF1ACYP1A2CYP2C19CYP2C9
SCHEMBL8775713 0.84 KIF11 (0.47) SMN1; SMN2HIF1AKIF11KMT2ACES2
SCHEMBL8504875 0.82 SMN1; SMN2 (0.50) SMN1; SMN2HIF1ACYP1A2CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118791431-A Dihydro-isoquinolone compounds and isoindoles Selective synthesis method of pinone compound 常州大学 2024-10-18 CN claimed
CN-102264734-B Alkaloid aminoester derivatives and medicinal composition thereof CHIESI FARMA SPA 2015-06-17 CN claimed
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN claimed
CN-118791431-A Dihydro-isoquinolone compounds and isoindoles Selective synthesis method of pinone compound 常州大学 2024-10-18 CN disclosed
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ZEALAND PHARMA A/S (DK) 2024-09-03 US disclosed
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2023-12-21 US disclosed
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ZEALAND PHARMA A/S (DK) 2023-08-01 US disclosed
US-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ZEALAND PHARMA A/S (DK) 2021-09-07 US disclosed
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2020-07-09 US disclosed
CN-102264734-A Alkaloid aminoester derivatives and medicinal composition thereof 2011-11-30 CN disclosed
CN-1518445-A Treatment of sexual dysfunction 沃纳-兰伯特公司 2004-08-04 CN disclosed
CN-1479618-A Treatment of sexual dysfunction with bombesin antagonists ����-�����ع�˾ 2004-03-03 CN 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 (5 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-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ITGB7, ITGB4, ITGA4 SMN1; SMN2 3111/4885HIF1A 1733/4885CYP1A2 4768/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 SMN1; SMN2 3171/4885HIF1A 2295/4885CYP1A2 4501/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 SMN1; SMN2 3111/4885HIF1A 1733/4885CYP1A2 4768/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 SMN1; SMN2 3111/4885HIF1A 1733/4885CYP1A2 4768/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 SMN1; SMN2 3181/4885HIF1A 1611/4885CYP1A2 4762/4885

“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.