SCHEMBL864398

SCHEMBL864398

O=C(NCCCCO)C(F)(F)F

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.82
SMN1; SMN2 Q16637 2/20 0.82
POLB P06746 2/20 0.82
MEN1 O00255 1/20 0.78
KMT2A Q03164 1/20 0.78
CA2 P00918 5/20 0.69
CA12 O43570 3/20 0.69
CA9 Q16790 3/20 0.69
CA3 P07451 2/20 0.69
CA5A P35218 2/20 0.69
CA5B Q9Y2D0 2/20 0.69
CA14 Q9ULX7 2/20 0.69
CA4 P22748 1/20 0.69
CA6 P23280 1/20 0.69
CA7 P43166 1/20 0.69
EPHX1 P07099 2/20 0.64
TDP1 Q9NUW8 1/20 0.46
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42

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
SCHEMBL3221326 0.98 MEN1 (0.83) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL712856 0.98 MEN1 (0.83) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3215133 0.98 MEN1 (0.83) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL16210325 0.98 MEN1 (0.83) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL2994990 0.98 MEN1 (0.83) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL865618 0.93 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27889238 0.91 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL29982917 0.88 MEN1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27056159 0.87 MEN1 (0.66) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL733643 0.83 ALDH1A1 (0.68) 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 146 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4572795-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER WITH CANCER-BINDING ADJUVANTS The University of Chicago (US) 2025-06-25 EP disclosed
US-20250122502-A1 Bifunctional Molecules and Methods of Using Thereof FLAGSHIP PIONEERING, INC. (US) 2025-04-17 US disclosed
US-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION THE JOHNS HOPKINS UNVERSITY 2025-04-10 US disclosed
US-20240400684-A1 ANTIBODY-MEDIATED DELIVERY OF CAS9 TO MAMMALIAN CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-12-05 US disclosed
WO-2024040169-A2 METHODS AND COMPOSITIONS FOR TREATING CANCER WITH CANCER-BINDING ADJUVANTS THE UNIVERSITY OF CHICAGO (US) 2024-02-22 WO disclosed
US-20230332145-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-10-19 US disclosed
WO-2023174773-A1 PHOTOALIGNING MATERIALS Rolic Technologies AG (CH) 2023-09-21 WO disclosed
US-20230167450-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-06-01 US disclosed
US-20230158156-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-05-25 US disclosed
WO-2023049816-A9 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-04-27 WO disclosed
US-6552015-B2 Inhibition of serotonin reuptake; especially 2-(azabicycloalkyl)alkylenyl)isoquinolin-3-one compounds PFIZER INC. 2003-04-22 US disclosed
US-20020052355-A1 Azabicycloalkane derivatives and therapeutic uses thereof PFIZER PRODUCTS INC. 2002-05-02 US disclosed
EP-1178048-A1 Azabicycloalkane derivatives for use as serotonin reuptake inhibitors and 5HT2a antagonists Pfizer Products Inc. (US) 2002-02-06 EP disclosed
US-6197963-B1 TETRAHYDROPYRAN DERIVATIVES; PROTEIN G, SOMATOSTATIN, AND NATURAL KILLER CELL RECEPTOR ANTAGONISTS OR MIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-03-06 US disclosed
US-5811512-A BINDING TO G-PROTEIN-LINKED RECEPTORS, SUBSTANCE P RECEPTOR; HORMONE INHIBITORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-09-22 US disclosed
EP-0728007-A4 NON-PEPTIDE PEPTIDOMIMETICS UNIV PENNSYLVANIA (US) 1998-09-02 EP disclosed
WO-1997028172-A1 NON-PEPTIDE PEPTIDOMIMETICS AND RELATED CYCLIC HEXAPEPTIDES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1997-08-07 WO disclosed
US-5552534-A COMPOUNDS FOR CROSS REACTION WITH PEPTIDES FOR BINDING G PROTEIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-09-03 US disclosed
EP-0728007-A1 NON-PEPTIDE PEPTIDOMIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-08-28 EP disclosed
WO-1995011686-A1 NON-PEPTIDE PEPTIDOMIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1995-05-04 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 (5 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-20230158156-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF EFTUD2, SNRPE, DDX21 ALDH1A1 4193/4885SMN1; SMN2 2320/4885POLB 361/4885
US-20250114441-A1 POLYMERIC VACCINE FOR OPIOID ADDICTION OPRM1, OPRK1, OPRL1 ALDH1A1 2483/4885SMN1; SMN2 2039/4885POLB 3216/4885
US-20020052355-A1 Azabicycloalkane derivatives and therapeutic uses thereof HTR5A, HTR1A, HTR2A ALDH1A1 449/4885SMN1; SMN2 2210/4885POLB 3583/4885
US-20230332145-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF EFTUD2, DDX21, SNRPE ALDH1A1 4159/4885SMN1; SMN2 2703/4885POLB 526/4885
US-20250122502-A1 Bifunctional Molecules and Methods of Using Thereof EFTUD2, DDX21, SNRPE ALDH1A1 4159/4885SMN1; SMN2 2703/4885POLB 526/4885

“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.