SCHEMBL2995445

SCHEMBL2995445

COc1cc(C(CCO)OC(=O)NC(C)(C)C)ccc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 2/20 0.53
F2 P00734 3/20 0.46
F10 P00742 3/20 0.46
PRSS1 P07477 3/20 0.46
F7 P08709 3/20 0.46
PRSS2 P07478 1/20 0.46
F3 P13726 1/20 0.46
PRSS3 P35030 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
CTSV O60911 2/20 0.44
CTSL P07711 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2987960 0.91 HPGD (0.52) HPGDALDH1A1KDM4EF2F10
SCHEMBL2998886 0.82 LMNA (0.45) ALDH1A1SMN1; SMN2MEN1KMT2APOLB
SCHEMBL2995448 0.78 NPSR1 (0.49) HPGDALDH1A1KDM4EF2F10
SCHEMBL27983820 0.74 KMT2A (0.50) SMN1; SMN2MEN1KMT2ASMPD1
SCHEMBL6373010 0.72 HPGD (0.56) HPGDALDH1A1KDM4EF2F10
SCHEMBL7962440 0.72 HPGD (0.56) HPGDALDH1A1KDM4EF2F10
SCHEMBL7962444 0.72 HPGD (0.56) HPGDALDH1A1KDM4EF2F10
SCHEMBL27952278 0.72 LMNA (0.40) ALDH1A1SMN1; SMN2POLBHTT
SCHEMBL27955103 0.72 MAPT (0.44) HPGDALDH1A1SMN1; SMN2CYP2C19
SCHEMBL9808697 0.72 HPGD (0.59) HPGDALDH1A1KDM4EF2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2083011-B1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TIANJIN HEMAY BIO TECH CO LTD (CN) 2014-06-04 EP disclosed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 US disclosed
EP-2083011-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-07-29 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 HPGD 169/4885ALDH1A1 1039/4885KDM4E 4109/4885

“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.