SCHEMBL691157

SCHEMBL691157

C[CH]Cc1cc(OC)cc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP1A1 P04798 3/20 0.46
CYP1B1 Q16678 3/20 0.46
CYP19A1 P11511 2/20 0.44
CALM1 P0DP23 2/20 0.41
AKR1B1 P15121 1/20 0.41
TSHR P16473 3/20 0.40
MAPK1 P28482 1/20 0.39
ESR1 P03372 2/20 0.39
CYP1A2 P05177 2/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ABL1 P00519 1/20 0.39
TTR P02766 1/20 0.39
ABCB1 P08183 1/20 0.39
ALOX5 P09917 1/20 0.39
BCR P11274 1/20 0.39

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
SCHEMBL1162423 0.81 ALDH1A1 (0.52) ALDH1A1CYP1A1CYP1B1CYP19A1CALM1
SCHEMBL1514243 0.79 ALDH1A1 (0.63) ALDH1A1CYP1A1CYP1B1CYP19A1AKR1B1
SCHEMBL29003102 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP19A1CALM1
SCHEMBL28597517 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP19A1CALM1
SCHEMBL8049885 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP19A1CALM1
SCHEMBL8345177 0.79 ALDH1A1 (0.50) ALDH1A1CYP1A1CYP1B1CYP19A1CALM1
SCHEMBL3503547 0.79 TAAR1 (0.56)
SCHEMBL3933929 0.76 ALDH1A1 (0.65) ALDH1A1CALM1TSHRTP53CYP3A4
SCHEMBL43447 0.75 ALDH1A1 (0.58) ALDH1A1CYP1A1CYP1B1CYP19A1CALM1
SCHEMBL5252553 0.74 ALDH1A1 (0.65) ALDH1A1CYP1A1CYP1B1CYP19A1CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3823810-A2 RESIN COMPOSITION SUITABLE FOR PRINTING AND PRINTING METHODS Montanuniversität Leoben (AT) 2021-05-26 EP disclosed
US-20200063130-A1 CHIMERIC RNA OLIGONUCLEOTIDES AND USES THEREOF Università Cattolica del Sacro Cuore (IT) 2020-02-27 US disclosed
WO-2020016343-A2 RESIN COMPOSITION SUITABLE FOR PRINTING AND PRINTING METHODS Montanuniversität Leoben (AT) 2020-01-23 WO disclosed
US-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2019-11-14 US disclosed
EP-3497446-A1 METHOD AND COMPOSITION FOR DETECTION OF PEPTIDE CYCLIZATION USING PROTEIN TAGS H. Hoffnabb-La Roche Ag (CH) 2019-06-19 EP disclosed
EP-3286362-A1 METHOD AND COMPOSITION FOR PEPTIDE CYCLIZATION AND PROTEASE TREATMENT F. Hoffmann-La Roche AG (CH) 2018-02-28 EP disclosed
WO-2018033478-A1 METHOD AND COMPOSITION FOR DETECTION OF PEPTIDE CYCLIZATION USING PROTEIN TAGS F. HOFFMANN-LA ROCHE AG (CH) 2018-02-22 WO disclosed
EP-3140310-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF Rempex Pharmaceuticals, Inc. (US) 2017-03-15 EP disclosed
EP-3131952-A1 RESIN COMPOSITION SUITABLE FOR PRINTING AND PRINTING METHOD UTILIZING THE SAME Montanuniversität Leoben (AT) 2017-02-22 EP disclosed
WO-2015171430-A1 SYNTHESIS OF BORONATE SALTS AND USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2015-11-12 WO disclosed
WO-1999010365-A2 5',5'-LINKED OLIGOMERS HAVING ANTI-THROMBIN ACTIVITY GILEAD SCIENCES, INC. (US) 1999-03-04 WO disclosed
WO-1998017647-A1 PIPERIDINE COMPOUNDS GILEAD SCIENCES, INC. (US) 1998-04-30 WO disclosed
WO-1998007685-A1 PREPARATION OF CYCLOHEXENE CARBOXYLATE DERIVATIVES GILEAD SCIENCES, INC. (US) 1998-02-26 WO disclosed
EP-0821690-A1 NOVEL COMPOUNDS AND METHODS FOR THERAPY Ustav Organicke Chemie A Biochemie Akademie Ved Ceske Republiky (CZ) 1998-02-04 EP disclosed
WO-1997049723-A1 CATIONIC LIPIDS FOR DELIVERY OF NUCLEIC ACID TO CELLS GILEAD SCIENCES, INC. (US) 1997-12-31 WO disclosed
EP-0807118-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1997-11-19 EP disclosed
EP-0789695-A2 THIEPANE COMPOUNDS INHIBITING AND DETECTING HIV PROTEASE GILEAD SCIENCES, INC. (US) 1997-08-20 EP disclosed
EP-0759917-A1 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES GILEAD SCIENCES, INC. (US) 1997-03-05 EP disclosed
WO-1996026933-A9 NOVEL SELECTIVE INHIBITORS OF VIRAL OR BACTERIAL NEURAMINIDASES 1996-11-28 WO disclosed
WO-1996023801-A2 NOVEL COMPOUNDS AND METHODS FOR MAKING AND USING SAME GILEAD SCIENCES, INC. (US) 1996-08-08 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 (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-20190345190-A1 PHOSPHONATE ANALOGS OF HIV INHIBITOR COMPOUNDS PIK3CA, TYMP, ITPA ALDH1A1 4577/4885CYP1A1 4752/4885CYP1B1 4560/4885

“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.