SCHEMBL17828384

SCHEMBL17828384

CCC(C)Oc1cccc(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.48
MAOB P27338 7/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
SRC P12931 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.43
CYSLTR1 Q9Y271 1/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
DRD1 P21728 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A3 P47895 1/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 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
SCHEMBL17828390 1.00 MAOA (0.48) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL17828395 1.00 MAOA (0.48) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL29951428 0.82 ALDH1A3 (0.60) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL599867 0.82 ALDH1A3 (0.60) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL10591781 0.82 MAOA (0.47) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL25518732 0.82 MAOA (0.47) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL11665507 0.82 GPBAR1 (0.55) GPBAR1CYSLTR1ALDH1A1GAAHSD17B10
SCHEMBL10990952 0.81 NPC1 (0.50) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL2551753 0.80 MAOA (0.46) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL11682496 0.80 SRC (0.44) MAOAMAOBNPC1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2017-12-07 US claimed
CN-105461585-A 3-aminobenzamide derivative as beta-lactam auxiliary antibiotic, preparation method and application UNIV HONG KONG POLYTECHNIC 2016-04-06 CN claimed
US-12018228-B2 Alkoxybenzaldehyde derivatives and precursors thereof GIVAUDAN SA (CH) 2024-06-25 US disclosed
US-20220002634-A1 ALKOXYBENZALDEHYDE DERIVATIVES AND PRECURSORS THEREOF GIVAUDAN SA (CH) 2022-01-06 US disclosed
EP-3873880-A1 ALKOXYBENZALDEHYDE DERIVATIVES AND PRECURSORS THEREOF Givaudan SA (CH) 2021-09-08 EP disclosed
CN-112930335-A Alkoxybenzaldehyde derivative and precursor thereof 奇华顿股份有限公司 2021-06-08 CN disclosed
US-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2017-12-07 US disclosed
US-9676796-B2 Tricyclic benzoxaborole compound, preparation method and use thereof DONG-A ST CO., LTD. (KR) 2017-06-13 US disclosed
US-20160168167-A1 Tricyclic Benzoxaborole Compound, Preparation Method and Use Thereof DONG-A ST CO., LTD. (KR) 2016-06-16 US disclosed
CN-105461585-A 3-aminobenzamide derivative as beta-lactam auxiliary antibiotic, preparation method and application UNIV HONG KONG POLYTECHNIC 2016-04-06 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 (2 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-20170348258-A1 3-Amino Benzamide Derivative Serving As B-Lactam Auxiliary Antibiotic, Preparation Method and Use Thereof BCAT2, SBDS, BCAT1 MAOA 528/4885MAOB 110/4885NPC1 3316/4885
US-20160168167-A1 Tricyclic Benzoxaborole Compound, Preparation Method and Use Thereof CYP2C19, CYP2C9, TBCB MAOA 136/4885MAOB 9/4885NPC1 826/4885

“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.