SCHEMBL5827872

SCHEMBL5827872

Oc1ccc2cc(O)c[c]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.44
ESR1 P03372 9/20 0.41
ESR2 Q92731 9/20 0.41
CYP3A4 P08684 2/20 0.41
ALOX15 P16050 2/20 0.41
TSHR P16473 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ABL1 P00519 1/20 0.39
ABCB1 P08183 1/20 0.39
BCR P11274 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B1 P14061 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B2 P37059 1/20 0.38
F12 P00748 1/20 0.36
CA12 O43570 2/20 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
SCHEMBL6630294 0.84 CYP1A2 (0.41) CYP1A2ESR1ESR2CYP3A4ALOX15
SCHEMBL5828094 0.81 CA12 (0.36) CYP1A2ESR1ESR2CYP3A4ALOX15
SCHEMBL5828722 0.81 CYP1A2 (0.35) CYP1A2ESR1ESR2CA12CA9
SCHEMBL3952850 0.77 CYP1A2 (0.44) CYP1A2ESR1ESR2CYP3A4HSD17B10
SCHEMBL5032964 0.77 MCL1 (0.38) CYP1A2ESR1ESR2CYP3A4ALOX15
SCHEMBL28614473 0.74 CYP1A2 (0.46) CYP1A2ESR1ESR2CYP3A4ALOX15
SCHEMBL1090982 0.71 CYP1A2 (0.48) CYP1A2ESR1ESR2CYP3A4ALOX15
SCHEMBL69484 0.71 CYP1A2 (0.77) CYP1A2ESR1ESR2CYP3A4ALOX15
SCHEMBL627219 0.71 CYP1A2 (0.77) CYP1A2ESR1ESR2CYP3A4ALOX15
SCHEMBL29364786 0.71 CYP1A2 (0.77) CYP1A2ESR1ESR2CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3883916-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES Momentive Performance Materials GmbH (DE) 2021-09-29 EP claimed
CN-113329993-A Use of polyhydroxy aromatic compounds for treating fibrous substrates based on amino acids 迈图高新材料有限责任公司 2021-08-31 CN claimed
US-20200163850-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-05-28 US claimed
EP-3883916-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES Momentive Performance Materials GmbH (DE) 2021-09-29 EP disclosed
CN-113329993-A Use of polyhydroxy aromatic compounds for treating fibrous substrates based on amino acids 迈图高新材料有限责任公司 2021-08-31 CN disclosed
US-20200163850-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2020-05-28 US disclosed
CN-1276035-C Water-color ink MITSUI CHEMICALS INC (JP) 2006-09-20 CN disclosed
US-7025971-B2 Treatment or prophylaxis of diseases caused by pilus-forming bacteria WASHINGTON UNIVERSITY (US) 2006-04-11 US disclosed
US-6962791-B2 Treatment or prophylaxis of diseases caused by pilus-forming bacteria WASHINGTON UNIVERSITY (US) 2005-11-08 US disclosed
US-6872542-B1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria SIGA PHARMACEUTICALS, INC. (US) 2005-03-29 US disclosed
CN-1558934-A Water-color ink 三井化学株式会社 2004-12-29 CN disclosed
US-20020146428-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-10-10 US disclosed
US-6420127-B1 PREVENTION OF MICROORGANISMAL INFECTIONS; OBTAIN MEMBRANES, INCUBATE WITH MODULATORS, MONITOR MICROORGANISMAL INFECTIONS WASHINGTON UNIVERSITY 2002-07-16 US disclosed
US-20020045199-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-04-18 US disclosed
US-20020034774-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HULTGREN SCOTT (US) 2002-03-21 US disclosed
US-6153396-A DRUG SCREENING BY ADDING COMPOUND TO MIXTURE OF CHAPERONE AND PILUS SUBUNIT AND DETERMINING THE CHANGE IN BINDING; BACTERICIDES FOR URINARY TRACT INFECTIONS SIGA PHARMACEUTICALS, INC. (US) 2000-11-28 US disclosed
US-6001823-A NOVEL PYRANOSIDES WHICH ARE BELIEVED TO BE CAPABLE OF INTERACTING WITH PERIPLASMIC MOLECULAR CHAPERONES WASHINGTON UNIVERSITY 1999-12-14 US disclosed
EP-0730601-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1996-09-11 EP disclosed
WO-1995014028-A9 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS 1995-08-10 WO disclosed
WO-1995014028-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1995-05-26 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 (4 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-20020034774-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP CYP1A2 3237/4885ESR1 4243/4885ESR2 3355/4885
US-20020045199-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP CYP1A2 3237/4885ESR1 4243/4885ESR2 3355/4885
US-20020146428-A1 Treatment or prophylaxis of diseases caused by pilus-forming bacteria HSP90B1, HSPBP1, PLPBP CYP1A2 3237/4885ESR1 4243/4885ESR2 3355/4885
US-20200163850-A1 USE OF POLYHYDROXYAROMATIC COMPOUNDS FOR THE TREATMENT OF FIBROUS AMINO ACID BASED SUBSTRATES PAH, CUTA, ASPH CYP1A2 815/4885ESR1 3231/4885ESR2 3103/4885

“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.