SCHEMBL406741

SCHEMBL406741

COC(=O)C#Cc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48
GABRB3 P28472 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRA2 P47869 1/20 0.48
GABRB2 P47870 1/20 0.48
GABRA4 P48169 1/20 0.48
GABRE P78334 1/20 0.48
GABRA6 Q16445 1/20 0.48
GABRG1 Q8N1C3 1/20 0.48
GABRG3 Q99928 1/20 0.48
GABRQ Q9UN88 1/20 0.48
ACACB O00763 1/20 0.43
HPGD P15428 3/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 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
SCHEMBL16329846 0.83 NCEH1 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6834747 0.82 APP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11902648 0.82 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9432042 0.81 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14709961 0.81 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10753043 0.81 APP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL124923 0.81 APP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL17845127 0.81 APP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1689714 0.81 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7950 0.80 KMT2A (0.45) ACACBHPGDMEN1KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260035353-A1 PHENOL DERIVATIVES FOR USE AS ANTIMICROBIAL, ANTIBACTERIAL, BACTERICIDE SPECIAL PRODUCTS LINE S P A (IT) 2026-02-05 US disclosed
US-20220281835-A1 PHENOL DERIVATIVES FOR USE AS ANTIMICROBIAL, ANTIBACTERIAL, BACTERICIDE SPECIAL PRODUCTS LINE S P A (IT) 2022-09-08 US disclosed
EP-3962887-A1 PHENOL DERIVATIVES FOR USE AS ANTIMICROBIAL, ANTIBACTERIAL, BACTERICIDE Special Product's Line S.p.A. (IT) 2022-03-09 EP disclosed
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof Tabomedex Biosciences, LLC (US) 2020-02-18 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
US-8101793-B2 Anticarcinogenic and antimetastasis agents; leukemia or Hodgkin's disease. SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2012-01-24 US disclosed
US-7449495-B2 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-11-11 US disclosed
EP-1971599-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SmithKline Beecham Corporation (US) 2008-09-24 EP disclosed
US-20080021088-A1 Retinoid Derivatives With Antiangiogenic, Antitumoral And Proapoptotic Activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-24 US disclosed
US-20080021088-A1 Retinoid Derivatives With Antiangiogenic, Antitumoral And Proapoptotic Activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2008-01-24 US disclosed
WO-2007071434-A1 ANTIVIRAL 2-CARBOXY-THIOPHENE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-28 WO disclosed
CN-1279014-C Retinoid derivatives having antiangiogenic, antitumor and pro-apoptotic activities SIGMA TAU IND FARMACEUTI (IT) 2006-10-11 CN disclosed
US-20040235757-A1 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2004-11-25 US disclosed
CN-1537094-A Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities ϣ��������ҩ��ҵ��˾ 2004-10-13 CN disclosed
EP-1412317-A1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMOR AND PROAPOPTOTIC ACTIVITIES Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-04-28 EP disclosed
WO-2003011808-A1 RETINOID DERIVATIVES WITH ANTIANGIOGENIC, ANTITUMORAL AND PROAPOPTOTIC ACTIVITIES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-02-13 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 (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-20080021088-A1 Retinoid Derivatives With Antiangiogenic, Antitumoral And Proapoptotic Activities RARA, RARB, RXRA GABRP 2764/4885GABRD 2409/4885GABRA1 2431/4885
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 GABRP 730/4885GABRD 896/4885GABRA1 625/4885
US-20260035353-A1 PHENOL DERIVATIVES FOR USE AS ANTIMICROBIAL, ANTIBACTERIAL, BACTERICIDE TLR7, GANC, ARG1 GABRP 1988/4885GABRD 1467/4885GABRA1 2371/4885
US-10562909-B2 Fused quadracyclic compounds, compositions and uses thereof MKNK2, CYP2J2, PTGS2 GABRP 2484/4885GABRD 973/4885GABRA1 1961/4885
US-20220281835-A1 PHENOL DERIVATIVES FOR USE AS ANTIMICROBIAL, ANTIBACTERIAL, BACTERICIDE UROD, PPARD, PGLS GABRP 1210/4885GABRD 358/4885GABRA1 2154/4885
US-20040235757-A1 Retinoid derivatives with antiangiogenic, antitumoral and proapoptotic activities RARA, RARB, RARG GABRP 2307/4885GABRD 1789/4885GABRA1 1961/4885

“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.