SCHEMBL8048472

SCHEMBL8048472

CCN(CCO)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
PABPC1 P11940 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.38
MAPT P10636 3/20 0.37
PKM P14618 2/20 0.37
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
MCL1 Q07820 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC29A1 Q99808 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ESR1 P03372 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
PSMD14 O00487 1/20 0.35

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
Sulfuric Acid SCHEMBL9134499 0.92 KMT2A (0.42) CYP3A4LMNAALDH1A1KMT2AMEN1
SCHEMBL94000 0.90 ALDH1A1 (0.47) CYP3A4LMNAALDH1A1KMT2AMEN1
SCHEMBL29421638 0.90 ALDH1A1 (0.47) CYP3A4LMNAALDH1A1KMT2AMEN1
SCHEMBL19002230 0.84 CYP3A4 (0.41) CYP3A4LMNAALDH1A1TP53TSHR
SCHEMBL29520654 0.83 CYP3A4 (0.46) CYP3A4LMNAALDH1A1TP53TSHR
SCHEMBL328909 0.83 CYP3A4 (0.46) CYP3A4LMNAALDH1A1TP53TSHR
SCHEMBL21748422 0.82 KMT2A (0.41) CYP3A4ALDH1A1KMT2AMEN1PABPC1
SCHEMBL10587657 0.82 CD44 (0.38) CYP3A4LMNAALDH1A1KMT2AMEN1
SCHEMBL21065758 0.81 CYP3A4 (0.44) CYP3A4LMNAALDH1A1TP53TSHR
Lithium Ion SCHEMBL19732706 0.81 CYP3A4 (0.44) CYP3A4LMNAALDH1A1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252890-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-26 US claimed
US-5475140-A Process for producing N,N-disubstituted p-phenylenediamine derivative sulfate WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1995-12-12 US claimed
EP-2841592-A1 COMPOSITIONS AND METHODS FOR IN VITRO DIAGNOSTIC TESTS INCLUDING SULFONIC ACID Surmodics IVD, Inc. (US) 2015-03-04 EP disclosed
US-20130252890-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-26 US disclosed
WO-2013142758-A1 COMPOSITIONS AND METHODS FOR IN VITRO DIAGNOSTIC TESTS INCLUDING SULFONIC ACID SURMODICS, INC. (US) 2013-09-26 WO disclosed
CN-101443311-A 1H-indol-5-yl-piperazin-1-yl-methanone derivatives HOFFMANN LA ROCHE (CH) 2009-05-27 CN disclosed
CN-100378090-C Substituted dioxopentacyclic derivative and its use in preparing neuro regulator POISON MEDICINE INST ACADEMY O (CN) 2008-04-02 CN disclosed
CN-1683365-A Substituted dioxopentacyclic derivative and its use in preparing neuro regulator POISON MEDICINE INST ACADEMY O (CN) 2005-10-19 CN disclosed
EP-1003564-A1 SOFT ORTHOPEDIC CASTING ARTICLE WITH REINFORCEMENT SYSTEM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-05-31 EP disclosed
US-5913840-A Soft orthopedic casting article with reinforcement system MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-22 US disclosed
WO-1999008725-A1 SOFT ORTHOPEDIC CASTING ARTICLE WITH REINFORCEMENT SYSTEM MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-02-25 WO disclosed
EP-0677049-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION, LTD. (KR) 1995-10-18 EP disclosed
US-5428137-A Useful in coloring almost all water-immiscible organic liquids, such as fuel oils, molten plastics, synthetic fiber spinning solutions and thermal transfer inks ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1995-06-27 US disclosed
WO-1994014795-A1 QUINAZOLINE DERIVATIVES YUHAN CORPORATION (KR) 1994-07-07 WO disclosed
EP-0553858-A1 Monoazo compound and dense solution thereof ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1993-08-04 EP disclosed
US-4295853-A EXTRACTING LIPOPEROXIDE FROM BLOOD OR SERUM, OXIDIZABLE COLOR REAGENT, COMPOUND OF MULTIVALENT METAL WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 1981-10-20 US disclosed
US-4197125-A MERCAPTO-CONTAINING ESTER IN ACTIVATING LAYER, UNSATURATED POLYURETHANE, VINYL MONOMER, PHOTOPOLYMERIZATION TEIJIN LIMITED (JP) 1980-04-08 US disclosed
US-4039529-A Cycloaliphatic dicarbonyl containing azo dyestuffs CIBA-GEIGY AG (CH) 1977-08-02 US disclosed
US-3971771-A DYES FOR POLYESTERS CIBA-GEIGY AG (CH) 1976-07-27 US disclosed
US-3950287-A CURING, AMINES, FREE RADICAL CATALYSTS ASHLAND OIL, INC. (US) 1976-04-13 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 (1 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-20130252890-A1 6,7-DIHYDRO-5H-BENZO[7]ANNULENE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND THE USE THEREOF FOR PRODUCTION OF MEDICAMENTS CYP19A1, SHBG, ESR2 CYP3A4 534/4885LMNA 683/4885ALDH1A1 465/4885

“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.