SCHEMBL6975512

SCHEMBL6975512

O=CCCCNC(=O)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
POLB P06746 1/20 0.68
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
CA3 P07451 2/20 0.64
CA5A P35218 2/20 0.64
CA5B Q9Y2D0 2/20 0.64
CA14 Q9ULX7 2/20 0.64
CA2 P00918 2/20 0.64
CA12 O43570 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
EPHX1 P07099 1/20 0.55
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HIF1A Q16665 1/20 0.36

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
SCHEMBL9557113 0.92 MEN1 (0.73) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL989637 0.87 CA3 (0.63) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL19787026 0.83 MEN1 (0.59) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL11204612 0.83 EPHX1 (0.47) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27889238 0.82 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL13861685 0.82 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL12116359 0.81 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3142216 0.80 CA3 (0.95) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL1252712 0.80 CA3 (0.86) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL10231803 0.80 CA3 (0.86) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110804175-B Antibacterial polyamino acid derivative or copolymer with alternating structure and preparation method thereof 中国科学院理化技术研究所 2021-05-14 CN disclosed
CN-110804175-A Antibacterial polyamino acid derivative or copolymer with alternating structure and preparation method thereof 中国科学院理化技术研究所 2020-02-18 CN disclosed
US-9422232-B2 Reductive release probes containing a chemoselectively cleavable α-azidoether linker and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-08-23 US disclosed
US-9422232-B2 Reductive release probes containing a chemoselectively cleavable α-azidoether linker and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-08-23 US disclosed
US-9422232-B2 Reductive release probes containing a chemoselectively cleavable α-azidoether linker and methods of use thereof THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2016-08-23 US disclosed
US-20120178086-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-12 US disclosed
US-20120178086-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-12 US disclosed
US-20120178086-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2012-07-12 US disclosed
WO-2011005821-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-01-13 WO disclosed
EP-0917530-B1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 2003-02-19 EP disclosed
EP-0922035-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 1999-06-16 EP disclosed
EP-0917530-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1999-05-26 EP disclosed
WO-1998050363-A1 SUBSTITUTED TETRAHYDRO ISOQUINOLINES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-12 WO disclosed
WO-1998049145-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM PLC (GB) 1998-11-05 WO disclosed
WO-1998006699-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 1998-02-19 WO disclosed
WO-1997043262-A1 TETRAHYDROISOQUINOLINE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS SMITHKLINE BEECHAM P.L.C. (GB) 1997-11-20 WO disclosed
EP-0375040-B1 Process for the preparation of retro-inverso peptides and new intermediates thereof SCLAVO SPA (IT) 1994-03-16 EP disclosed
US-5116947-A PROCESS FOR THE PREPARATION OF RETRO-INVERSO PEPTIDES AND NEW INTERMEDIATES THEREOF SCLAVO S.P.A. (IT) 1992-05-26 US disclosed
US-5061811-A PROCESS FOR THE PREPARATION OF RETRO-INVERSO PEPTIDES AND 1,3-DIOXANE-4,6-DIONE INTERMEDIATES THEREOF SCLAVO S.P.A. (IT) 1991-10-29 US disclosed
EP-0375040-A2 Process for the preparation of retro-inverso peptides and new intermediates thereof SCLAVO S.p.A. (IT) 1990-06-27 EP 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-20120178086-A1 REDUCTIVE RELEASE PROBES CONTAINING A CHEMOSELECTIVELY CLEAVABLE ALPHA-AZIDOETHER LINKER AND METHODS OF USE THEREOF CPSF1, CPSF7, CPSF6 ALDH1A1 2568/4885SMN1; SMN2 912/4885POLB 1071/4885

“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.