SCHEMBL5142104

SCHEMBL5142104

COc1cc(C)c(OC)c(Br)c1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
CA2 P00918 5/20 0.43
CA4 P22748 5/20 0.43
CA1 P00915 4/20 0.43
CA6 P23280 4/20 0.43
PTPN1 P18031 1/20 0.41
MAPT P10636 3/20 0.38
CYP3A4 P08684 1/20 0.38
CA9 Q16790 1/20 0.38
NQO2 P16083 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL12552998 0.84 ACHE (0.43) ACHECA2CA4CA1CA6
SCHEMBL27806279 0.82 CA2 (0.50) ACHECA2CA4CA1CA6
SCHEMBL677634 0.77 ACHE (0.50) ACHECA2CA4CA1CA6
SCHEMBL14438192 0.76 ACHE (0.43) ACHECA2CA4CA1CA6
SCHEMBL28018207 0.75 CA2 (0.53) ACHECA2CA4CA1CA6
SCHEMBL4209565 0.74 ACHE (0.41) ACHECA2CA4CA1CA6
SCHEMBL30835564 0.73 ACHE (0.56) ACHEMAPTCYP3A4CA9NQO2
SCHEMBL1635426 0.73 ACHE (0.50) ACHEMAPTCYP3A4CA9NQO2
SCHEMBL29793476 0.73 ACHE (0.50) ACHEMAPTCYP3A4CA9NQO2
SCHEMBL1243920 0.73 ACHE (0.56) ACHEMAPTCYP3A4CA9NQO2

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7217706-B2 Propanolamine derivatives ASTELLAS PHARMA INC. (JP) 2007-05-15 US disclosed
EP-1382333-A2 Use of beta 3 adrenergic receptor agonists in the treatment of dysuria FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-01-21 EP disclosed
US-6495546-B1 SUCH AS 1-(N-BENZYL-N-(3-METHOXY-6,7,8,9-TETRAHYDRO-5H-BENZO-CYCLOHEPTEN-6-YL)AMINO)-3-PHENOXY-2-PROPANOL; ADRENERGIC RECEPTOR AGONISTS; ANTIULCEROUS, LIPOLYTIC, ANTIURINARY INCONTINENCE AND ANTIPOLLAKIURIA ACTIVITIES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
US-20020120148-A1 Propanolamine derivatives FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2002-08-29 US disclosed
US-5736523-A ADMINISTERING TO THE MAMMAL SUFFERING FROM CANCER BIOCHEM PHARMA INC. (CA) 1998-04-07 US disclosed
US-5606037-A Processes antineoplastic heteronaphthoquinones BIOCHEM PHARMA INC. (CA) 1997-02-25 US disclosed
US-5593970-A ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING BIOCHEM PHARMA INC. (CA) 1997-01-14 US disclosed
EP-0659190-A1 ANTINEOPLASTIC HETERONAPHTHOQUINONES BIOCHEM PHARMA INC (CA) 1995-06-28 EP disclosed
WO-1994011382-A1 ANTINEOPLASTIC HETERONAPHTHOQUINONES BIOCHEM PHARMA INC. (CA) 1994-05-26 WO disclosed
WO-1991019725-A2 HETEROCYCLIC ANTHRACYCLIONE AND ANTHRACYCLINE ANALOGS BIOCHEM PHARMA INC. (CA) 1991-12-26 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 (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-20020120148-A1 Propanolamine derivatives AMY2A, PNMT, PNLIP ACHE 43/4885CA2 4654/4885CA4 4234/4885

“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.