SCHEMBL3955098

SCHEMBL3955098

CCc1ccc(O)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 7/20 0.59
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
NR3C2 P08235 1/20 0.47
EP300 Q09472 3/20 0.46
KAT2B Q92831 3/20 0.46
KAT8 Q9H7Z6 3/20 0.46
HDAC3 O15379 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
LDHA P00338 1/20 0.45
MEN1 O00255 1/20 0.45
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
GABRA1 P14867 1/20 0.44
GABRB2 P47870 1/20 0.44
CTSB P07858 1/20 0.44

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
SCHEMBL3584443 0.86 GABRA1 (0.56) IDO1GAAGABRA1GABRB2
SCHEMBL30537735 0.85 GABRA1 (0.43) GABRA1GABRB2
SCHEMBL5682891 0.85 GABRA1 (0.43) GABRA1GABRB2
Ammonia Solution, Strong SCHEMBL28878772 0.85 IDO1 (0.41) IDO1NR3C1PGRNR3C2MEN1
SCHEMBL27342867 0.83 IDO1 (0.54) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL3082795 0.82 IDO1 (0.59) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL29357437 0.81 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL1397170 0.81 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL4612497 0.81 IDO1 (0.65) IDO1EP300KAT2BKAT8HDAC3
SCHEMBL8963168 0.80 DHFR (0.42) IDO1MEN1GAAKMT2AGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182213-A Coupling a Phenylenediamine and a Naphthol MILES INC. (US) 1993-01-26 US claimed
EP-0504663-A1 Peroxidase indicator system for basic media Bayer Corporation (US) 1992-09-23 EP claimed
EP-4371982-A2 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX Pharmaceuticals, Inc. (US) 2024-05-22 EP disclosed
EP-3583096-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-110520413-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2023-02-17 CN disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
US-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS CHARLES RIVER DISCOVERY RESEARCH SERVICES UK LIMITED (GB) 2021-07-01 US disclosed
CN-110520413-A Big ring broad-spectrum antibiotic RQX PHARMACEUTICALS INC 2019-11-29 CN disclosed
US-4100205-A Oxidative coupling of alkylphenols or 1-naphthols catalyzed by metal complexes of aminoketo compounds ICI AMERICAS INC. (US) 1978-07-11 US disclosed
US-4100206-A Oxidative coupling of alkylphenols or 1-naphthols catalyzed by metal complexes of keto alcohol compounds ICI AMERICAS INC. (US) 1978-07-11 US disclosed
US-4098830-A OXIDATIVE COUPLING OF ALKYLPHENOLS OR 1-NAPHTHOLS CATALYZED BY METAL COMPLEXES OF DICARBOXYLIC ACID COMPOUNDS ICI AMERICAS INC. (US) 1978-07-04 US disclosed
US-4097461-A Oxidative coupling of alkylphenols or 1-naphthols catalyzed by metal complexes of diketo compounds ICI AMERICAS INC. (US) 1978-06-27 US disclosed
US-4096190-A Oxidative coupling of alkylphenols catalyzed by metal ammonia complexes ICI AMERICAS INC. (US) 1978-06-20 US disclosed
US-4085124-A Oxidative coupling of alkylphenols, alkoxyphenols and 1-naphthols catalyzed by metal complexes of amino compounds ICI AMERICAS INC. (US) 1978-04-18 US disclosed
US-4070383-A COPPER COMPOUND-ANIONIC SURFACTANT-ALKALI METAL COMPOUND CATALYST SYSTEM ICI AMERICAS INC. (US) 1978-01-24 US disclosed
US-4067890-A Oxidative coupling of alkylphenols, alkoxyphenols and naphthols catalyzed by metal complexes of amino carboxylic and amino sulfonic acids ICI AMERICA INC. (US) 1978-01-10 US disclosed
US-4062904-A Removal of hydroxyl-, carboxy-, or amino substituents from aromatic compounds using a group VI B catalyst UOP INC. (US) 1977-12-13 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-20210198316-A9 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC IDO1 2405/4885NR3C1 4663/4885PGR 4065/4885
US-20230133667-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC IDO1 2405/4885NR3C1 4663/4885PGR 4065/4885

“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.