SCHEMBL14680236

SCHEMBL14680236

Oc1cccc(C(c2ccc3cccnc3c2O)N2CCCC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 5/20 0.69
ALDH1A1 P00352 7/20 0.64
KDM4E B2RXH2 7/20 0.64
MAPT P10636 7/20 0.64
KMT2A Q03164 5/20 0.64
HTT P42858 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
TDP1 Q9NUW8 4/20 0.64
HSP90AA1 P07900 3/20 0.64
NPSR1 Q6W5P4 3/20 0.64
S1PR4 O95977 1/20 0.64
S1PR1 P21453 1/20 0.64
AGTR1 P30556 1/20 0.64
ALOX12 P18054 5/20 0.60
TP53 P04637 3/20 0.60
ALOX15 P16050 3/20 0.60
MEN1 O00255 3/20 0.60
MAPK1 P28482 3/20 0.60
ESR2 Q92731 3/20 0.60
BRAF P15056 1/20 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
SCHEMBL14652565 0.83 P4HB (0.79) P4HBALDH1A1KDM4EMAPTKMT2A
SCHEMBL1700908 0.82 P4HB (0.98) P4HBALDH1A1KDM4EMAPTKMT2A
SCHEMBL16696547 0.81 P4HB (0.79) P4HBALDH1A1KDM4EMAPTKMT2A
SCHEMBL25079432 0.79 ALOX12 (0.66) P4HBALDH1A1KDM4EMAPTKMT2A
SCHEMBL30253787 0.79 ALOX12 (0.66) P4HBALDH1A1KDM4EMAPTKMT2A
SCHEMBL30868623 0.79 P4HB (0.78) P4HBALDH1A1KDM4EMAPTKMT2A
SCHEMBL9960186 0.79 PPP1CA (0.79) P4HBALDH1A1KDM4EMAPTKMT2A
SCHEMBL30253871 0.78 P4HB (0.70) P4HBALDH1A1KDM4EMAPTKMT2A
SCHEMBL25079458 0.78 P4HB (0.70) P4HBALDH1A1KDM4EMAPTKMT2A
SCHEMBL11955274 0.78 ALOX12 (0.77) P4HBALDH1A1KDM4EMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease UNITY BIOTECHNOLOGY, INC. (US) 2019-02-05 US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 US disclosed
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-19 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-11-05 US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 US disclosed
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS NATIONAL INSTITUTES OF HEALTH-DIRECTOR DEITR 2013-02-07 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 (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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 P4HB 3058/4885ALDH1A1 545/4885KDM4E 3258/4885
US-20130035304-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 P4HB 3707/4885ALDH1A1 2862/4885KDM4E 2392/4885
US-10000511-B2 Small molecules for the modulation of MCL-1 and methods of modulating cell death, cell division, cell differentiation and methods of treating disorders MCL1, BCL2, BCL2L1 P4HB 3707/4885ALDH1A1 2862/4885KDM4E 2392/4885
US-20150315211-A1 SMALL MOLECULES FOR THE MODULATION OF MCL-1 AND METHODS OF MODULATING CELL DEATH, CELL DIVISION, CELL DIFFERENTIATION AND METHODS OF TREATING DISORDERS MCL1, BCL2, BCL2L1 P4HB 3707/4885ALDH1A1 2862/4885KDM4E 2392/4885
US-10195213-B2 Chemical entities that kill senescent cells for use in treating age-related disease TP53, CDKN1A, GLA P4HB 3446/4885ALDH1A1 194/4885KDM4E 2184/4885

“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.