SCHEMBL1627427

SCHEMBL1627427

CC1NCCc2cc(O)c(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 1.00
DRD2 P14416 2/20 1.00
HSD17B10 Q99714 2/20 1.00
TSHR P16473 2/20 1.00
KDM4E B2RXH2 1/20 1.00
CYP2C9 P11712 1/20 1.00
DRD3 P35462 1/20 1.00
HIF1A Q16665 1/20 1.00
DRD4 P21917 1/20 1.00
CYP2D6 P10635 1/20 0.71
ALDH1A1 P00352 1/20 0.71
ADRB2 P07550 2/20 0.57
ADRB1 P08588 2/20 0.57
ADRB3 P13945 2/20 0.57
KDM1A O60341 4/20 0.57

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
SCHEMBL29740683 1.00 MAOA (1.00) MAOADRD2HSD17B10TSHRKDM4E
SCHEMBL10029584 1.00 MAOA (1.00) MAOADRD2HSD17B10TSHRKDM4E
SCHEMBL29476085 1.00 MAOA (1.00) MAOADRD2HSD17B10TSHRKDM4E
SCHEMBL7938058 1.00 MAOA (1.00) MAOADRD2HSD17B10TSHRKDM4E
Bromide SCHEMBL3757469 0.98 MAOA (1.00) MAOADRD2HSD17B10TSHRKDM4E
Bromide SCHEMBL29544330 0.98 MAOA (1.00) MAOADRD2HSD17B10TSHRKDM4E
Phenol SCHEMBL27602371 0.89 MAOA (0.79) MAOADRD2HSD17B10TSHRKDM4E
Phenol SCHEMBL27602370 0.89 MAOA (0.79) MAOADRD2HSD17B10TSHRKDM4E
Phenol SCHEMBL28752297 0.87 MAOA (0.79) MAOADRD2HSD17B10TSHRKDM4E
Phenol SCHEMBL27621020 0.87 MAOA (0.79) MAOADRD2HSD17B10TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088030-A1 WATER SOLUBLE AND ACTIVABLE PHENOLICS DERIVATIVES WITH DERMOCOSMETIC AND THERAPEUTIC APPLICATIONS AND PROCESS FOR PREPARING SAID DERIVATIVES LIBRAGEN (FR) 2014-03-27 US claimed
CN-101611148-A Water-soluble phenolic derivatives for cosmetic and therapeutic applications on the skin LIBRAGEN (FR) 2009-12-23 CN claimed
EP-2027279-A2 WATER SOLUBLE AND ACTIVABLE PHENOLICS DERIVATIVES WITH DERMOCOSMETIC AND THERAPEUTIC APPLICATIONS AND PROCESS FOR PREPARING SAID DERIVATIVES Libragen (FR) 2009-02-25 EP claimed
WO-2007144368-A2 WATER SOLUBLE PHENOLICS DERIVATIVES WITH DERMOCOSMETIC AND THERAPEUTIC APPLICATIONS LIBRAGEN (FR) 2007-12-21 WO claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0673782-B1 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORP (US) 2000-06-14 EP claimed
US-20240246965-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE EQUINORM LTD 2024-07-25 US disclosed
EP-2247558-B2 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2024-07-03 EP disclosed
EP-2247558-B2 NOVEL IMAGING AGENTS FOR DETECTING NEUROLOGICAL DYSFUNCTION LILLY CO ELI (US) 2024-07-03 EP disclosed
EP-4313985-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE Equinorm Ltd (FI) 2024-02-07 EP disclosed
CN-117412975-A Heterocyclic compounds and their use 伊科诺姆有限公司 2024-01-16 CN disclosed
CN-109485628-B Chiral polyamide membrane and preparation method and application thereof 中国药科大学 2022-07-22 CN disclosed
US-5639887-A MULTIDRUG RESISTANT CELLS; INCREASE CELL SENSITIVITY TO ANTICANCER AGENTS AMERICAN CYANAMID COMPANY (US) 1997-06-17 US disclosed
US-5561141-A POTENTIATE ACTIVITY OF ANTITUMOR AGENTS AMERICAN CYANAMID COMPANY (US) 1996-10-01 US disclosed
US-5550149-A SULFUR-CONTAINING COMPOUNDS THAT ARE EFFECTIVE IN POTENTIATING THE ACTIVITY OF CHEMOTHERAPEUTIC ANTI-CANCER AGENTS BY INCREASING SENSITIVITY OF MULTI-DRUG RESISTANT CELLS AMERICAN CYANAMID COMPANY (US) 1996-08-27 US disclosed
US-5387685-A MDR reversal agents AMERICAN CYANAMID COMPANY 1995-02-07 US disclosed
EP-0634401-A1 MDR reversal agents AMERICAN CYANAMID COMPANY (US) 1995-01-18 EP disclosed
WO-1993012113-A1 3-SUBSTITUTED IMIDAZO (1,5-a) AND IMIDAZO (1,5-a)-TRIAZOLO (1,5-c) QUINOXALINES AND QUINAZOLINES WITH CNS ACTIVITY THE UPJOHN COMPANY (US) 1993-06-24 WO disclosed
WO-1993012091-A1 D- AND L-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-1-CARBOXYLIC ACIDS AND THEIR DERIVATIVES CONTAINING URETHANE-TYPE N-PROTECTING GROUPS AS WELL AS A PROCESS FOR PREPARING THEM AND THE CORRESPONDING RACEMATES Gyógyszerkutató Intézet Kft. (HU) 1993-06-24 WO 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-20240246965-A1 NOVEL HETEROCYCLIC COMPOUNDS AND THEIR USE CNR1, CNR2, OPRK1 MAOA 220/4885DRD2 43/4885HSD17B10 756/4885
US-20140088030-A1 WATER SOLUBLE AND ACTIVABLE PHENOLICS DERIVATIVES WITH DERMOCOSMETIC AND THERAPEUTIC APPLICATIONS AND PROCESS FOR PREPARING SAID DERIVATIVES UGGT1, TYR, G6PD MAOA 688/4885DRD2 3201/4885HSD17B10 674/4885

“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.