SCHEMBL96762

SCHEMBL96762

[O]CCCOc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.71
TAAR1 Q96RJ0 1/20 0.56
ALDH1A1 P00352 1/20 0.56
RECQL P46063 1/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
HTR1B P28222 2/20 0.54
LTA4H P09960 2/20 0.54

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
SCHEMBL95950 0.93 KCNA3 (0.76) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL5173404 0.91 KCNA3 (0.60) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL5175295 0.91 KCNA3 (0.60) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL9327520 0.91 KCNA3 (0.67) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL1004356 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL1006823 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL1006072 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL1006273 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL1004973 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLHDAC3
SCHEMBL97258 0.91 KCNA3 (0.73) KCNA3TAAR1ALDH1A1RECQLHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US claimed
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-0731095-B1 4-Alkylthio-pyrimidin-5-ylacetic acid derivatives BAYER AG (DE) 2002-07-03 EP claimed
EP-1173472-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-01-23 EP claimed
WO-2000064927-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 WO claimed
US-5776941-A FUNGICIDES SANDOZ LTD (CH) 1998-07-07 US claimed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US claimed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 EP claimed
EP-0274907-B1 ANIONIC END-CAPPED OLIGOMERIC ESTERS AS SOIL RELEASE AGENTS IN DETERGENT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1992-08-12 EP claimed
EP-0274907-A1 Anionic end-capped oligomeric esters as soil release agents in detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1988-07-20 EP claimed
US-4721580-A TEREPHTHALATE ESTERS WITHSODIUM SULFONATE END GROUPS THE PROCTER & GAMBLE COMPANY (US) 1988-01-26 US claimed
US-4331805-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1982-05-25 US claimed
US-4302586-A FLUORESCENT WHITENERS CIBA-GEIGY CORPORATION (US) 1981-11-24 US claimed
US-4157443-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1979-06-05 US claimed
CN-109803956-B Novel benzamide compound, process for producing the same, and acaricide 日本欧爱特农业科技株式会社 2023-08-29 CN disclosed
US-4203757-A Halophenoxyalkoxy phosphorous-containing sulfides GAF CORPORATION (US) 1980-05-20 US disclosed
US-4157443-A OPTICAL BRIGHTENERS CIBA-GEIGY CORPORATION (US) 1979-06-05 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 (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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 KCNA3 3733/4885TAAR1 3551/4885ALDH1A1 123/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 KCNA3 3491/4885TAAR1 3519/4885ALDH1A1 170/4885

“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.