SCHEMBL5849815

SCHEMBL5849815

CCc1ccc(/C=C/C(=O)O)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MAPK1 P28482 2/20 0.56
TBXAS1 P24557 2/20 0.54
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 3/20 0.44
HCAR2 Q8TDS4 2/20 0.44
HPGD P15428 2/20 0.41
MAPT P10636 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 1/20 0.40
EGFR P00533 1/20 0.38

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
SCHEMBL5849817 1.00 KMT2A (0.56) KMT2AMAPK1TBXAS1ALDH1A1MEN1
SCHEMBL11124265 0.82 KMT2A (0.53) KMT2AMAPK1TBXAS1ALDH1A1MEN1
SCHEMBL11124268 0.82 KMT2A (0.53) KMT2AMAPK1TBXAS1ALDH1A1MEN1
SCHEMBL11080507 0.81 TBXAS1 (0.53) KMT2AMAPK1TBXAS1ALDH1A1HCAR2
SCHEMBL13185586 0.81 ALDH1A1 (0.42) KMT2AMAPK1TBXAS1ALDH1A1MEN1
SCHEMBL11080502 0.81 TBXAS1 (0.53) KMT2AMAPK1TBXAS1ALDH1A1HCAR2
SCHEMBL10736604 0.81 MAPK1 (0.51) KMT2AMAPK1TBXAS1ALDH1A1HPGD
SCHEMBL10736596 0.81 MAPK1 (0.51) KMT2AMAPK1TBXAS1ALDH1A1HPGD
SCHEMBL8920416 0.80 MAPK1 (0.66) KMT2AMAPK1TBXAS1ALDH1A1MEN1
SCHEMBL8920408 0.80 MAPK1 (0.66) KMT2AMAPK1TBXAS1ALDH1A1MEN1

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-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
WO-2016172545-A1 CASTRATION-RESISTANT PROSTATE CANCER NUTECH VENTURES (US) 2016-10-27 WO disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 US disclosed
US-7115741-B2 4-thieno[2,3-D]pyrimidin-4-YL piperazine compounds ALEXION PHARMACEUTICALS, INC. 2006-10-03 US disclosed
US-20030153556-A1 Piperazine and homopiperazine compounds MILLENNIUM PHARMACEUTICALS, INC. 2003-08-14 US disclosed
WO-2003022214-A2 PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-03-20 WO disclosed
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed
US-4093622-A Pyridine esters of cyclopropane-carboxylic acid ZOECON CORPORATION (US) 1978-06-06 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 (2 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-20030153556-A1 Piperazine and homopiperazine compounds HAMP, MPL, F2 KMT2A 1823/4885MAPK1 3516/4885TBXAS1 16/4885
US-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD KMT2A 1415/4885MAPK1 2207/4885TBXAS1 1997/4885

“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.