SCHEMBL7055752

SCHEMBL7055752

COc1ccccc1C(=O)C(C)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
HPGD P15428 4/20 0.54
ALDH1A1 P00352 1/20 0.54
HTT P42858 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 1/20 0.50
CTSD P07339 1/20 0.50
XBP1 P17861 1/20 0.49
KCNA3 P22001 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TP53 P04637 1/20 0.47
GLA P06280 1/20 0.47
STAT3 P40763 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL29588295 0.86 RAB9A (0.55) KMT2AHPGDALDH1A1HTTNPC1
SCHEMBL10671645 0.84 CTSD (0.53) HPGDALDH1A1NPC1RAB9ACTSD
SCHEMBL28150235 0.83 IRAK4 (0.45) KMT2AHPGDALDH1A1HTTNPC1
SCHEMBL31318924 0.83 CTSD (0.55) KMT2AHPGDALDH1A1HTTNPC1
SCHEMBL4303504 0.83 CTSD (0.55) KMT2AHPGDALDH1A1HTTNPC1
SCHEMBL31257134 0.83 CTSD (0.55) KMT2AHPGDALDH1A1HTTNPC1
1,2-Dimethoxybenzene SCHEMBL27707733 0.83 KMT2A (0.69) KMT2AHPGDALDH1A1HTTL3MBTL1
SCHEMBL8523805 0.81 HPGD (0.49) KMT2AHPGDALDH1A1HTTNPC1
SCHEMBL9344621 0.80 MAPT (0.49) KMT2AHPGDALDH1A1HTTNPC1
SCHEMBL2339959 0.80 CTSD (0.51) KMT2AHPGDALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1029932-C Ingestibles containing substantially tasteless sweetness inhibitors as bitter taste reducers or substantially tasteless bitter inhibitors as sweet taste reducers BIORESEARCH INC (US) 1995-10-11 CN claimed
CN-1060770-A The sweetness inhibitor that contains substantially tasteless is as bitter inhibitor or contain the absorbed thing of the bitter inhibitor of substantially tasteless as sweetness inhibitor BIORESEARCH INC (US) 1992-05-06 CN claimed
EP-3268374-A1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION 4SC AG (DE) 2018-01-17 EP disclosed
CN-107548396-A Kv1.3 inhibitors and medical uses thereof 4SC股份公司 2018-01-05 CN disclosed
CN-107548397-A Kv1.3 inhibitors and medical uses thereof 4SC股份公司 2018-01-05 CN disclosed
WO-2016146583-A1 KV1.3 INHIBITORS AND THEIR MEDICAL APPLICATION 4SC DISCOVERY GMBH (DE) 2016-09-22 WO disclosed
CN-102060692-A Preparation method of gamma-(p-methoxyphenyl) butyric acid HUNAN TIANCHENG PHARMACEUTICAL COMPANY LTD 2011-05-18 CN disclosed
US-6602895-B2 Inhibitors of factor Xa with a neutral P1 specificity group BRISTOL-MYERS SQUIBB COMPANY 2003-08-05 US disclosed
US-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group GALEMMO ROBERT A (US) 2003-05-15 US disclosed
US-6403620-B1 ANTICOAGULANT AGENTS FOR TREATMENT AND PREVENTION OF THROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-11 US disclosed
EP-0991625-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 2000-04-12 EP disclosed
US-5998424-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-12-07 US disclosed
WO-1998057937-A2 INHIBITORS OF FACTOR XA WITH A NEUTRAL P1 SPECIFICITY GROUP THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1998-12-23 WO disclosed
CN-1141627-A Indole derivatives for the treatment of estrogen-related tumors and diseases MERRELL DOW PHARMA (US) 1997-01-29 CN disclosed
CN-1029932-C Ingestibles containing substantially tasteless sweetness inhibitors as bitter taste reducers or substantially tasteless bitter inhibitors as sweet taste reducers BIORESEARCH INC (US) 1995-10-11 CN disclosed
CN-1060770-A The sweetness inhibitor that contains substantially tasteless is as bitter inhibitor or contain the absorbed thing of the bitter inhibitor of substantially tasteless as sweetness inhibitor BIORESEARCH INC (US) 1992-05-06 CN disclosed
EP-0156317-A2 Foodstuffs containing sweetness inhibiting agents and process for inhibiting the sweetness perception of a foodstuff GENERAL FOODS CORPORATION (US) 1985-10-02 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-20030092740-A1 Inhibitors of factor Xa with a neutral P1 specificity group F12, F11, SERPINC1 KMT2A 4193/4885HPGD 1756/4885ALDH1A1 1329/4885

“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.