SCHEMBL508405

SCHEMBL508405

CCC(=O)c1ccc(CBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
RAB9A P51151 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
GSK3B P49841 4/20 0.47
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
THRA P10827 2/20 0.46
THRB P10828 2/20 0.46
PTPN1 P18031 2/20 0.43
ATM Q13315 1/20 0.42
HSD17B3 P37058 1/20 0.41

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
SCHEMBL10898528 0.83 THRB (0.56) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL8051337 0.83 SMN1; SMN2 (0.70) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL507985 0.83 HSD17B3 (0.62) SMN1; SMN2L3MBTL1CES2CES1THRA
SCHEMBL9237039 0.82 GSK3B (0.64) CES2CES1GSK3BALDH1A1THRA
SCHEMBL20278348 0.82 MAPT (0.57) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL10587394 0.82 SMN1; SMN2 (0.57) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL1687863 0.82 ALDH1A1 (0.64) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL5630152 0.82 KMT2A (0.60) MAPTSMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL27878347 0.80 THRA (0.61) MAPTSMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL13080503 0.80 CES2 (0.55) L3MBTL1CES2CES1RAB9ANPC1

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 89 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60115547-A None JP disclosed
US-20240408214-A1 NANOPARTICULATE MONOBENZONE FOR TREATING MELANOMA NORTHWESTERN UNIVERSITY 2024-12-12 US disclosed
WO-2023049896-A1 NANOPARTICULATE MONOBENZONE FOR TREATING MELANOMA NORTHWESTERN UNIVERSITY (US) 2023-03-30 WO disclosed
CN-111377814-A Preparation method of α -acyloxyketone compound 河北科技大学 2020-07-07 CN disclosed
CN-109641890-A Isocitric dehydrogenase (IDH) inhibitor 上海迈同生物科技有限公司 2019-04-16 CN disclosed
CN-105377846-B Organic compound 细胞内治疗公司 2018-03-20 CN disclosed
CN-107082782-A Substituted xanthine and its application method 海德拉生物科学有限公司 2017-08-22 CN disclosed
CN-105143229-B Substituted xanthines and methods of use thereof 海德拉生物科学有限公司 2017-06-30 CN disclosed
CN-105121423-B 3- (4- (benzyloxy) phenyl) hex-4-ynoic acid derivative, method for preparing the same, and pharmaceutical composition for preventing and treating metabolic diseases comprising the same as an effective ingredient 现代药品株式会社 2017-06-09 CN disclosed
CN-106715409-A Complex preparation for preventing or treating metabolic diseases comprising novel 3- (4- (benzyloxy) phenyl) -4-hexenoic acid derivative and other active ingredients 现代药品株式会社 2017-05-24 CN disclosed
US-20080153979-A1 non-natural amino acids are selected from amino acids having protected or masked carbonyl, dicarbonyl, hydroxylamine, or oxime side chains, and amino acid attached to a polyoxyethylene glycol, acrylic polymers or natural polymer; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-06-26 US disclosed
US-20080153979-A1 non-natural amino acids are selected from amino acids having protected or masked carbonyl, dicarbonyl, hydroxylamine, or oxime side chains, and amino acid attached to a polyoxyethylene glycol, acrylic polymers or natural polymer; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-06-26 US disclosed
US-7385028-B2 Modified non-natural amino acid polypeptides typically include at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-06-10 US disclosed
US-7385028-B2 Modified non-natural amino acid polypeptides typically include at least one oxime, carbonyl, dicarbonyl, and/or hydroxylamine group; therapeutic, diagnostic, and other biotechnology uses AMBRX, INC (US) 2008-06-10 US disclosed
US-7332571-B2 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-02-19 US disclosed
US-7332571-B2 Non-natural amino acid polypeptides and modified non-natural amino acid polypeptides, therapeutic, diagnostic, and other biotechnology uses AMBRX, INC. (US) 2008-02-19 US disclosed
JP-S60115547-A P-(HALOMETHYL)PHENYL KETONE AND ITS PRODUCTION NISSAN CHEM IND LTD 1985-06-22 JP disclosed
US-4265898-A ANTICOAGULANTS BAYER AKTIENGESELLSCHAFT (DE) 1981-05-05 US disclosed
US-4053316-A PHOTOPOLYMERIZATION OF ETHYLENICALLY-UNSATURATED ORGANIC COMPOUNDS ICI UNITED STATES INC. (US) 1977-10-11 US disclosed
US-3982942-A MANGANESE CARBONYL CATALYST ICI UNITED STATES INC. (US) 1976-09-28 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 (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-20080153979-A1 non-natural amino acids are selected from amino acids having protected or masked carbonyl, dicarbonyl, hydroxylamine, or oxime side chains, and amino acid attached to a polyoxyethylene glycol, acrylic polymers or natural polymer; therapeutic, diagnostic, and other biotechnology uses DAO, DNPEP, AADAT MAPT 2518/4885SMN1; SMN2 1676/4885L3MBTL1 1362/4885
US-20240408214-A1 NANOPARTICULATE MONOBENZONE FOR TREATING MELANOMA TYR, CD47, SDHB MAPT 3003/4885SMN1; SMN2 1504/4885L3MBTL1 342/4885

“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.