SCHEMBL3947896

SCHEMBL3947896

CC(C)Cc1ccc(C(=O)O)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 10/20 0.61
LMNA P02545 3/20 0.58
KDM4E B2RXH2 3/20 0.58
TSHR P16473 2/20 0.58
NFKB1 P19838 2/20 0.58
BLM P54132 2/20 0.58
PMP22 Q01453 2/20 0.58
ALDH1A1 P00352 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
MAPT P10636 1/20 0.58
PKM P14618 1/20 0.58
ALOX15 P16050 1/20 0.58
THPO P40225 1/20 0.58
KMT2A Q03164 1/20 0.58
HIF1A Q16665 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
P4HA1 P13674 1/20 0.48

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
SCHEMBL7897000 0.88 P4HTM (0.59) P4HTMLMNAKDM4ETSHRNFKB1
SCHEMBL14446852 0.86 LMNA (0.43) P4HTMLMNAKDM4ETSHRNFKB1
SCHEMBL5499533 0.83 P4HTM (0.54) P4HTMLMNAKDM4ETSHRNFKB1
SCHEMBL15858732 0.81 MAPK1 (0.56) P4HTMLMNAKDM4ETSHRNFKB1
SCHEMBL10174721 0.81 PTGS1 (0.40) P4HTMLMNAKDM4ETSHRNFKB1
SCHEMBL15858768 0.81 PTGS1 (0.41) P4HTMLMNAKDM4ETSHRNFKB1
SCHEMBL29852428 0.80 KDM4E (0.52) P4HTMLMNAKDM4ETSHRNFKB1
SCHEMBL286868 0.79 KDM4E (0.69) P4HTMLMNAKDM4ETSHRNFKB1
SCHEMBL25355779 0.79 P4HTM (0.57) P4HTMLMNAKDM4ETSHRNFKB1
SCHEMBL26008291 0.79 P4HTM (0.57) P4HTMLMNAKDM4ETSHRNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022121844-A1 DIHYDROPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海维申医药有限公司 2022-06-16 WO disclosed
US-10224487-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-05 US disclosed
US-10224487-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-03-05 US disclosed
US-9799839-B2 Organometallic compound and organic light-emitting diode comprising the same Samsung Diplay Co., Ltd. (KR) 2017-10-24 US disclosed
US-9799839-B2 Organometallic compound and organic light-emitting diode comprising the same Samsung Diplay Co., Ltd. (KR) 2017-10-24 US disclosed
US-9799839-B2 Organometallic compound and organic light-emitting diode comprising the same Samsung Diplay Co., Ltd. (KR) 2017-10-24 US disclosed
US-9691992-B2 Organic light-emitting diode SAMSUNG DISPLEY CO., LTD. (KR) 2017-06-27 US disclosed
US-9691992-B2 Organic light-emitting diode SAMSUNG DISPLEY CO., LTD. (KR) 2017-06-27 US disclosed
US-9691992-B2 Organic light-emitting diode SAMSUNG DISPLEY CO., LTD. (KR) 2017-06-27 US disclosed
US-20150076459-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2015-03-19 US disclosed
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2009-05-28 US disclosed
US-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists MERCK & CO., INC. (US) 2008-10-09 US disclosed
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-07-03 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
US-20070155737-A1 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS, INC. 2007-07-05 US disclosed
CN-1894225-A (3, 4-disubstituted) propanoates as sphingosine 1-phosphate (endothelial differentiation gene) receptor agonists MERCK & CO INC (US) 2007-01-10 CN disclosed
EP-1697333-A1 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005058848-A1 (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS MERCK & CO., INC. (US) 2005-06-30 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-20070155737-A1 Heterobicyclic metalloprotease inhibitors ADAMTS4, ADAMTS1, ADAMTS5 P4HTM 390/4885LMNA 3275/4885KDM4E 418/4885
US-20080161300-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 P4HTM 726/4885LMNA 2387/4885KDM4E 2058/4885
US-20090137547-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 P4HTM 726/4885LMNA 2387/4885KDM4E 2058/4885
US-20080249093-A1 (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists S1PR1, S1PR3, S1PR5 P4HTM 2090/4885LMNA 3260/4885KDM4E 2051/4885
US-20070155738-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 P4HTM 726/4885LMNA 2387/4885KDM4E 2058/4885

“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.