SCHEMBL1124489

SCHEMBL1124489

Cc1noc(C)c1C=CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.49
ALDH1A1 P00352 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
IP6K1 Q92551 2/20 0.35
IP6K3 Q96PC2 2/20 0.35
IP6K2 Q9UHH9 2/20 0.35
BRD4 O60885 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ESR1 P03372 1/20 0.34
POLB P06746 2/20 0.33
HDAC3 O15379 1/20 0.33
TNKS O95271 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33

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
SCHEMBL1124487 1.00 GAA (0.49) GAAALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL29611878 0.82 LMNA (0.35) GAAALDH1A1L3MBTL1LMNATSHR
SCHEMBL5774464 0.77 IP6K1 (0.52) GAAALDH1A1SMN1; SMN2LMNAIP6K1
SCHEMBL5774461 0.77 IP6K1 (0.52) GAAALDH1A1SMN1; SMN2LMNAIP6K1
SCHEMBL10519859 0.73 POLB (0.42) GAAALDH1A1L3MBTL1LMNATSHR
SCHEMBL23840370 0.72 GAA (0.37) GAASMN1; SMN2NPC1LMNABRD4
SCHEMBL96416 0.72
SCHEMBL18662483 0.71 ALDH1A1 (0.50) GAAALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL18662485 0.71 ALDH1A1 (0.50) GAAALDH1A1L3MBTL1SMN1; SMN2NPC1
SCHEMBL20511104 0.71 POLB (0.57) GAAALDH1A1L3MBTL1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117069720-A 5-HT 2A Receptor agonist, preparation method and application thereof 上海翊石医药科技有限公司 2023-11-17 CN disclosed
US-9994558-B2 Multicyclic compounds and methods of using same Karyopharm Therapeutics Inc. (US) 2018-06-12 US disclosed
US-20170096417-A1 Multicyclic Compounds And Methods Of Using Same Karyopharm Therapeutics Inc. (US) 2017-04-06 US disclosed
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS AISSAOUI HAMED (FR) 2011-11-17 US disclosed
EP-2282996-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS Actelion Pharmaceuticals Ltd. (CH) 2011-02-16 EP disclosed
WO-2009141782-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS ACTELION PHARMACEUTICALS LTD (CH) 2009-11-26 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 (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-20170096417-A1 Multicyclic Compounds And Methods Of Using Same PAK4, PAK5, PAK1 GAA 2085/4885ALDH1A1 2231/4885L3MBTL1 4300/4885
US-20110281869-A1 TETRAHYDROISOQUINOLINES AS ANTIMALARIAL AGENTS QTRT2, RECQL, QTRT1 GAA 1565/4885ALDH1A1 3228/4885L3MBTL1 4369/4885

“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.