SCHEMBL721539

SCHEMBL721539

Nc1ccc(C[C]=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.57
ALDH1A1 P00352 2/20 0.57
TDP1 Q9NUW8 2/20 0.57
TSHR P16473 1/20 0.57
GFER P55789 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.48
MAOB P27338 4/20 0.42
MAOA P21397 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CYP19A1 P11511 2/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 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
SCHEMBL13858890 0.87 MAPT (0.56) CYP3A4ALDH1A1TDP1TSHRGFER
SCHEMBL11139354 0.86 CYP3A4 (0.42) CYP3A4ALDH1A1TDP1TSHRKMT2A
SCHEMBL11221908 0.82 TAAR1 (0.52) ALDH1A1TDP1TSHRLOXL2MAOB
SCHEMBL8625033 0.79 HRH3 (0.50) LOXL2MAPTCA12CA1CA2
SCHEMBL18427888 0.78 HRH3 (0.41) CYP3A4TSHRMAOBCA12CA1
4,4'-Methylenedianiline SCHEMBL31734180 0.77 CYP3A4 (0.70) CYP3A4ALDH1A1TDP1TSHRGFER
SCHEMBL692408 0.75 GFER (0.59) CYP3A4ALDH1A1TDP1TSHRGFER
SCHEMBL3736025 0.74 TAAR1 (0.48) MAOBMEN1KMT2A
SCHEMBL7069164 0.74 TSHR (0.43) CYP3A4ALDH1A1TSHR
SCHEMBL96029 0.74 TAAR1 (0.48) LOXL2MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-27 US claimed
US-20230116913-A2 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION INVIVOGEN (FR) 2023-04-13 US claimed
US-20220339287-A9 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION INVIVOGEN (FR) 2022-10-27 US claimed
US-20210353760-A1 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION INVIVOGEN (FR) 2021-11-18 US claimed
US-20210170037-A1 BRANCHED SUGAR ALCOHOL-BASED COMPOUNDS, AND COMPOSITIONS AND METHODS THEREOF CELLMOSAIC INC (US) 2021-06-10 US claimed
CN-112584871-A Branched sugar alcohol-based compounds and compositions and methods thereof 希默赛生物技术公司 2021-03-30 CN claimed
EP-3731874-A1 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION Invivogen (FR) 2020-11-04 EP claimed
EP-3505188-A1 PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION Invivogen (FR) 2019-07-03 EP claimed
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US claimed
EP-2210900-A2 Analogues of GLP-1 IPSEN PHARMA (FR) 2010-07-28 EP claimed
EP-0961619-A4 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL MYERS SQUIBB CO (US) 2001-09-26 EP claimed
EP-0961619-A1 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-12-08 EP claimed
EP-0941120-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-09-15 EP claimed
WO-1998019705-A1 BRANCHED PEPTIDE LINKERS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-14 WO claimed
WO-1998013059-A1 HYDROLYZABLE PRODRUGS FOR DELIVERY OF ANTICANCER DRUGS TO METASTATIC CELLS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-02 WO claimed
US-4381300-A Sulphur analogs of cephalosporins having a nucleophile substituted in the 7 position MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1983-04-26 US claimed
US-4265882-A Sulphur analogs of penicillins having a nucleophile substituted in the 6 and 7 position, respectively MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1981-05-05 US claimed
US-4093625-A 6-Sulfur analogs of penicillins and cephalosporins MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1978-06-06 US claimed
US-4009159-A PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1977-02-22 US claimed
US-3972774-A BY AN ESTERASE ENZYME FROM BACILLUS ELI LILLY AND COMPANY (US) 1976-08-03 US claimed

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-20210170037-A1 BRANCHED SUGAR ALCOHOL-BASED COMPOUNDS, AND COMPOSITIONS AND METHODS THEREOF SIGLEC7, CD44, SIGLEC9 CYP3A4 2720/4885ALDH1A1 112/4885TDP1 4139/4885
US-20240208987-A1 EXATECAN-DERIVED ADC LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF ADCY3, ADCY8, ADCY7 CYP3A4 4244/4885ALDH1A1 819/4885TDP1 1467/4885
US-20210353760-A1 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION STING1, CGAS, TLR9 CYP3A4 4790/4885ALDH1A1 4585/4885TDP1 1701/4885
US-20220339287-A9 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION STING1, CGAS, TLR9 CYP3A4 4790/4885ALDH1A1 4585/4885TDP1 1701/4885
US-20230116913-A2 PRO-CYCLIC DINUCLEOTIDES AND PRO-CYCLIC DINUCLEOTIDE CONJUGATES FOR CYTOKINE INDUCTION STING1, CGAS, TLR9 CYP3A4 4790/4885ALDH1A1 4585/4885TDP1 1701/4885

“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.