SCHEMBL2590942

SCHEMBL2590942

[c]1cc(-c2ccc(OCc3ccccc3)cc2)no1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
KMT2A Q03164 1/20 0.54
ENPP3 O14638 1/20 0.53
ENPP1 P22413 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
PTGS1 P23219 1/20 0.53
SLC6A2 P23975 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTGS2 P35354 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HIF1A Q16665 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
GSTP1 P09211 1/20 0.49
MCL1 Q07820 2/20 0.48
XDH P47989 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
SCHEMBL197017 0.76 LMNA (0.72) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL16051250 0.76 PKM (0.44) RAB9ASMN1; SMN2NPC1LMNACYP1A2
SCHEMBL28953186 0.75 GSTP1 (0.48) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL27743534 0.74 CYP1A2 (0.61) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL23483029 0.74 LMNA (0.69) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL1096817 0.74 LMNA (0.69) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL27367676 0.74 LMNA (0.82) RAB9ASMN1; SMN2LMNACYP1A2PTGS1
SCHEMBL339813 0.74 LMNA (0.82) RAB9ASMN1; SMN2LMNACYP1A2PTGS1
SCHEMBL8978594 0.74 ENPP3 (0.58) RAB9ASMN1; SMN2MEN1NPC1POLB
SCHEMBL254671 0.73 LMNA (0.88) RAB9ASMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8841335-B2 Pharmaceutical composition for inhibiting apoptosis of neuron or neurodegeneration SK BIOPHARMACEUTICALS CO., LTD. (KR) 2014-09-23 US disclosed
EP-2566475-A2 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION SK Biopharmaceuticals Co., Ltd. (KR) 2013-03-13 EP disclosed
US-20130046001-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION SK BIOPHARMACEUTICALS CO., LTD. (KR) 2013-02-21 US disclosed
WO-2011139079-A2 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION SK BIOPHARMACEUTICALS CO., LTD. (KR) 2011-11-10 WO disclosed
US-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity DR REDDY'S LABORATORIES LIMITED (IN) 2008-02-21 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-20080045580-A1 Novel Isoxazole Compounds Having Ppar Agonist Activity PPARG, PPARA, PPARD RAB9A 2782/4885SMN1; SMN2 4709/4885MEN1 4842/4885
US-20130046001-A1 PHARMACEUTICAL COMPOSITION FOR INHIBITING APOPTOSIS OF NEURON OR NEURODEGENERATION BAX, NLN, CASP3 RAB9A 2788/4885SMN1; SMN2 15/4885MEN1 4505/4885

“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.