SCHEMBL1805409

SCHEMBL1805409

CCCCOc1cccc([O])c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.54
LTA4H P09960 2/20 0.53
TLR4 O00206 1/20 0.53
TLR2 O60603 1/20 0.53
THRB P10828 1/20 0.51
PLA2G4B P0C869 2/20 0.50
SMPD1 P17405 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 2/20 0.49
NR1H4 Q96RI1 1/20 0.47
FAAH O00519 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL7297045 0.94 TSHR (0.62) TSHRLTA4HTLR4TLR2THRB
SCHEMBL8766568 0.93 TSHR (0.65) TSHRLTA4HTHRBPLA2G4BSMPD1
SCHEMBL1665036 0.93 TSHR (0.65) TSHRLTA4HTHRBPLA2G4BSMPD1
SCHEMBL9717879 0.93 TSHR (0.65) TSHRLTA4HTHRBPLA2G4BSMPD1
SCHEMBL2089702 0.93 TSHR (0.65) TSHRLTA4HTHRBPLA2G4BSMPD1
SCHEMBL1804312 0.90 KMT2A (0.59) TSHRTLR4TLR2SMPD1KMT2A
SCHEMBL4397448 0.86 TSHR (0.63) TSHRLTA4HTLR4TLR2THRB
SCHEMBL8765681 0.84 KMT2A (0.61) TSHRPLA2G4BSMPD1CYP1A2CYP2C19
1-Butyloxy-3-Propoxybenzene SCHEMBL3390925 0.82 TSHR (0.59) TSHRLTA4HTLR4TLR2THRB
SCHEMBL1665140 0.82 TP53 (0.59) LTA4HTHRBCYP1A2CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-8404036-B2 Water-soluble near-infrared absorbing coloring matters and aqueous inks containing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2013-03-26 US disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
EP-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-5705453-A INSECTICIDES, MITICIDES, FUNGICIDES MITSUBISHI CHEMICAL CORPORATION (JP) 1998-01-06 US disclosed
US-5608091-A SHEETS FOR HEAT EXCHANGING AND OPTICAL RECORDING MATERIAL NIPPON SHOKUBAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0726266-A1 Indazole compounds and the use thereof as fungicides, insecticides and miticides MITSUBISHI CHEMICAL CORPORATION (JP) 1996-08-14 EP disclosed
EP-0661350-A1 Quinizarin compound, method for production thereof, and use therefor NIPPON SHOKUBAI CO., LTD. (JP) 1995-07-05 EP disclosed
EP-0351615-B1 PROCESS FOR THE PREPARATION OF 4-ALKOXY-2-HYDROXYBENZOPHENONE-5-SULFONIC ACIDS BASF Aktiengesellschaft (DE) 1992-10-28 EP disclosed
US-5072034-A PREPARATION OF 4-ALKOXY-2-HYDROXYBENZOPHENONE-5-SULFONIC ACIDS BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed
EP-0120463-B1 ANTHRAQUINONE DYES AND LIQUID CRYSTAL COMPOSITIONS INCLUDING THE SAME HITACHI, LTD. (JP) 1991-11-06 EP disclosed
EP-0351615-A1 Process for the preparation of 4-alkoxy-2-hydroxybenzophenone-5-sulfonic acids BASF Aktiengesellschaft (DE) 1990-01-24 EP disclosed
US-4610804-A Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1986-09-09 US disclosed
EP-0120463-A2 Anthraquinone dyes and liquid crystal compositions including the same HITACHI, LTD. (JP) 1984-10-03 EP 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 TSHR 1585/4885LTA4H 1506/4885TLR4 939/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 TSHR 643/4885LTA4H 3917/4885TLR4 1115/4885

“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.