SCHEMBL423964

SCHEMBL423964

[O]Cc1ccc(C(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
TP53 P04637 1/20 0.63
ALDH1A1 P00352 4/20 0.62
TPMT P51580 1/20 0.56
SRD5A2 P31213 3/20 0.55
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
TYR P14679 1/20 0.52
DRD1 P21728 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50

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
SCHEMBL1541438 0.85 ALDH1A1 (0.58) TSHRTP53ALDH1A1TPMTSRD5A2
SCHEMBL1795374 0.82 ALDH1A1 (0.60) TSHRTP53ALDH1A1TPMTSRD5A2
SCHEMBL68390 0.81 SRD5A2 (0.69) TSHRTP53ALDH1A1TPMTSRD5A2
SCHEMBL70166 0.81 TSHR (0.67) TSHRTP53ALDH1A1TPMTSRD5A2
Terephthalic Acid SCHEMBL4612225 0.81 TSHR (0.67) TSHRTP53ALDH1A1TPMTSRD5A2
Bromide SCHEMBL1596492 0.80 ALDH1A1 (0.58) TSHRTP53ALDH1A1TPMTSRD5A2
Hydrochloric Acid SCHEMBL1596308 0.80 ALDH1A1 (0.58) TSHRTP53ALDH1A1TPMTSRD5A2
Terephthalic Acid SCHEMBL175823 0.80 TSHR (1.00) TSHRTP53ALDH1A1TPMTSRD5A2
Terephthalic Acid SCHEMBL5053781 0.80 TSHR (1.00) TSHRTP53ALDH1A1TPMTSRD5A2
Terephthalic Acid SCHEMBL1655 0.80 TSHR (1.00) TSHRTP53ALDH1A1TPMTSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144399-A1 QUINOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE HOFFMANN-LA ROCHE INC. (US) 2023-05-11 US claimed
EP-3728192-A1 NOVEL QUINOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE F. Hoffmann-La Roche AG (CH) 2020-10-28 EP claimed
CN-111511719-A Quinoline compounds for the treatment and prophylaxis of hepatitis b virus diseases 豪夫迈·罗氏有限公司 2020-08-07 CN claimed
JP-4537315-B2 2010-09-01 JP claimed
US-7666863-B2 Benzofuran compounds, compositions and methods for treatment and prophylaxis of hepatitis C viral infections and associated diseases VIROPHARMA INCORPORATED (US) 2010-02-23 US claimed
US-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES SAHA ASHIS K 2007-10-04 US claimed
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 EP claimed
EP-1746888-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2007-01-31 EP claimed
US-20060258735-A1 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders MENG CHARLES Q 2006-11-16 US claimed
US-7078431-B2 1,3-bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders ATHEROGENICS, INC. (US) 2006-07-18 US claimed
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity SIKORSKI JAMES A (US) 2002-11-07 US claimed
US-20020049316-A1 Protease inhibitors HALBERT STACIE MARIE (US) 2002-04-25 US claimed
WO-2001098291-A2 1,3-BIS-(SUBSTITUTED-PHENYL)-2-PROPEN-1-ONES AND THEIR USE TO TREAT VCAM-1 MEDIATED DISORDERS ATHEROGENICS, INC. (US) 2001-12-27 WO claimed
EP-1115693-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL $i(TERTIARY)-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY Monsanto Company (US) 2001-07-18 EP claimed
CN-1261276-A Protease inhibitors SMITHKLINE BEECHAM CORP (US) 2000-07-26 CN claimed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP claimed
WO-2000018721-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL TERTIARY-HETEROALKYLAMINES USEFUL FOR INHIBITING CHOLESTERYL ESTER TRANSFER PROTEIN ACTIVITY MONSANTO COMPANY (US) 2000-04-06 WO claimed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO claimed
CN-1094035-A Carboxylic acid derivative contains pharmaceutical composition of these compounds and preparation method thereof THOMAE GMBH DR K (DE) 1994-10-26 CN claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20070231318-A1 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES BBOX1, HAVCR2, CYP2E1 TSHR 4825/4885TP53 1559/4885ALDH1A1 189/4885
US-20020049316-A1 Protease inhibitors CTSK, CTSZ, CTSG TSHR 3737/4885TP53 264/4885ALDH1A1 2831/4885
US-20020165231-A1 Substituted N-heteroaryl-N-phenyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, LCAT, MTTP TSHR 4233/4885TP53 4313/4885ALDH1A1 2079/4885
US-20230144399-A1 QUINOLINE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS DISEASE RECQL, SLC10A1, UGT1A1 TSHR 2448/4885TP53 706/4885ALDH1A1 405/4885
US-20020165232-A1 Substituted N, N-disubstituted cycloalkyl aminoalcohol compounds useful for inhibiting cholesteryl ester transfer protein activity CETP, DBI, PLTP TSHR 4329/4885TP53 4423/4885ALDH1A1 2588/4885
US-20060258735-A1 1,3-Bis-(substituted-phenyl)-2-propen-1-ones and their use to treat VCAM-1 mediated disorders VCAM1, ICAM1, ITGB1 TSHR 263/4885TP53 3906/4885ALDH1A1 186/4885

“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.