SCHEMBL6720375

SCHEMBL6720375

COc1ccc2occ(C(=O)O)c(=O)c2c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.69
ALDH1A1 P00352 3/20 0.67
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
KMT2A Q03164 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
LMNA P02545 3/20 0.59
HPGD P15428 2/20 0.59
TSHR P16473 2/20 0.59
HSD17B10 Q99714 1/20 0.59
MAOA P21397 3/20 0.57
NPC1 O15118 3/20 0.56
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
HTT P42858 1/20 0.55

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
SCHEMBL29933548 0.89 ALDH1A1 (0.77) MAOBALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL3375297 0.89 ALDH1A1 (0.77) MAOBALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL11508405 0.88 ALDH1A1 (0.60) MAOBALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL11362721 0.87 NPC1 (0.62) MAOBALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL11260734 0.87 MAOB (0.64) MAOBALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL6720393 0.86 MAOB (0.54) MAOBALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL13856154 0.85 KMT2A (0.83) MAOBALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL12325869 0.85 NPC1 (0.74) MAOBALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL11260728 0.84 ALDH1A1 (0.65) MAOBALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL6720384 0.83 MAOB (0.61) MAOBALDH1A1RAB9ASMN1; SMN2KMT2A

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
WO-2023070780-A1 MONOAMINE OXIDASE B INHIBITOR HAVING POTENTIAL IRON CHELATING ACTIVITY AND USE THEREOF 浙江工业大学 2023-05-04 WO disclosed
CN-114149417-A Monoamine oxidase B inhibitor with potential iron chelation activity and application thereof 浙江工业大学 2022-03-08 CN disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-8183236-B2 Compounds with HIV-1 integrase inhibitory activity and use thereof as anti-HIV/AIDS therapeutics UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2012-05-22 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 US disclosed
US-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2009-04-02 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-20090088420-A1 COMPOUNDS WITH HIV-1 INTEGRASE INHIBITORY ACTIVITY AND USE THEREOF AS ANTI-HIV/AIDS THERAPEUTICS TYMP, IMPDH1, SAMHD1 MAOB 1441/4885ALDH1A1 265/4885RAB9A 3114/4885

“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.