SCHEMBL2882672

SCHEMBL2882672

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru]=Cc2ccccc2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
GRM4 Q14833 1/20 0.32
CRHR1 P34998 2/20 0.31
MAPT P10636 4/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
CRHBP P24387 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
NFE2L2 Q16236 1/20 0.31
TTR P02766 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
Hydrochloric Acid SCHEMBL3670747 0.98 ALDH1A1 (0.32) ALDH1A1KDM4EHPGDGRM4CRHR1
SCHEMBL3681245 0.87
Hydrochloric Acid SCHEMBL6531918 0.86
Bromide SCHEMBL15203878 0.86
Hydrochloric Acid SCHEMBL713347 0.86
Iodide SCHEMBL15204070 0.86
SCHEMBL28381841 0.79 CRHR1 (0.30) CRHR1
Hydrochloric Acid SCHEMBL14574621 0.78 HTR1A (0.31) CRHR1
SCHEMBL18040436 0.78 ALOX5 (0.37) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL13238426 0.76 MAPT (0.39) ALDH1A1HPGDCRHR1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117916227-A Process for preparing perfuming intermediates 弗门尼舍有限公司 2024-04-19 CN disclosed
CN-115003649-A Process for the preparation of perfuming intermediates 弗门尼舍有限公司 2022-09-02 CN disclosed
US-8829030-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2014-09-09 US disclosed
US-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 US disclosed
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-04-18 US disclosed
US-8357718-B2 N-heterocyclyl- or cycloalkyl-N-(2-carboxy-5-aryl-3-thiophenyl)cycloalkanecarboxamides, e.g., 5-(3-fluorophenyl)-3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-thiophene-2-carboxylic acid; especially for prevention and treatment of HVC VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-01-22 US disclosed
EP-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 EP disclosed
US-7906573-B2 Crosslinked polycyclooctene UNIVERSITY OF CONNECTICUT (US) 2011-03-15 US disclosed
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 EP disclosed
US-20100160522-A1 CROSSLINKED POLYCYCLOOCTENE MATHER PATRICK T 2010-06-24 US disclosed
EP-1395257-A1 MACROCYCLES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-10 EP disclosed
EP-1351924-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-10-15 EP disclosed
WO-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
EP-1268450-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP disclosed
WO-2002100399-A1 MACROCYCLES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
WO-2002100851-A2 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION SHIRE BIOCHEM INC. (CA) 2002-12-19 WO disclosed
US-20020128212-A1 14-membered macrolides derived from leucomycins SILICON VALLEY BANK DBA SILICON VALLEY EAST 2002-09-12 US disclosed
US-6440942-B1 MODIFICATIONS TO ENHANCE ACID STABILITY AND PREVENT ANHYDRO FORMATION; ROXITHROMYCIN AND CLARITHROMYCIN; ACTIVE AGAINST MLS-RESISTANT STRAINS (MLS=MACROLIDES-LINCOSAMIDES-STREPTOGRAMINES) ENANTA PHARMACEUTICALS, INC. 2002-08-27 US disclosed
WO-2002050019-A2 DIAMINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA CO. (US) 2002-06-27 WO disclosed
WO-2001092235-A1 LACTAMS SUBSTITUTED BY CYCLIC SUCCINATES AS INHIBITORS OF Aβ PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-06 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 (3 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-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS ALDH1A1 684/4885KDM4E 3220/4885HPGD 2916/4885
US-20130096106-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS ZC3HAV1, ZYX, ZFX ALDH1A1 1591/4885KDM4E 1505/4885HPGD 3391/4885
US-20020128212-A1 14-membered macrolides derived from leucomycins IL15, RPL21, RPL14 ALDH1A1 4055/4885KDM4E 1381/4885HPGD 1782/4885

“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.