SCHEMBL7089442

SCHEMBL7089442

COc1ccc2c(c1)NCC2C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSPA1A P0DMV8 1/20 0.45
PTPN7 P35236 1/20 0.45
SIRT1 Q96EB6 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
MTNR1A P48039 1/20 0.39
HTR2C P28335 1/20 0.38

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
SCHEMBL3749345 0.88 HSPA1A (0.51) HSPA1APTPN7SIRT1ALDH1A1KDM4E
SCHEMBL22864660 0.87 MAPK1 (0.39) MAPKAPK2MTNR1A
SCHEMBL19644392 0.85 SIRT1 (0.43) HSPA1APTPN7SIRT1ALDH1A1KDM4E
SCHEMBL7946579 0.84 HDAC8 (0.38) ALDH1A1KDM4EMTNR1AHTR2C
SCHEMBL28981598 0.84 MTNR1A (0.36) HSPA1APTPN7ALDH1A1KDM4EMTNR1A
SCHEMBL3903010 0.76 PRKAB2 (0.44) ALDH1A1MAPKAPK2
SCHEMBL3906901 0.76 PRKAB2 (0.39) ALDH1A1KDM4EHPGDHSD17B10MAPKAPK2
SCHEMBL5809094 0.76 PRKAB2 (0.39) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14885415 0.76 PRKAB2 (0.42) HSPA1APTPN7ALDH1A1
SCHEMBL12649161 0.76 HTR2C (0.54) MAPKAPK2MTNR1AHTR2C

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
US-6624321-B2 Metathesis ring-opening polymerization of cyclic ethers in the presence of catalysts such as aluminum bis(trifluoromethane-sulfonate) phenolate BAYER AKTIENGESELLSCHAFT (DE) 2003-09-23 US disclosed
US-20030097026-A1 Process for the preparation of polyether polyols DENNINGER UWE (DE) 2003-05-22 US disclosed
US-6492565-B2 USING ALKYLENE OXIDE IN PRESENCE OF LEWIS ACID CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2002-12-10 US disclosed
US-20010053866-A1 Process for the preparation of polyether polyols BAYER AKTIENGESELLSCHAFT (DE) 2001-12-20 US disclosed
EP-1032570-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2000-09-06 EP disclosed
WO-1999025709-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 1999-05-27 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-20030097026-A1 Process for the preparation of polyether polyols PCBP1, FHIT, PUF60 HSPA1A 3993/4885PTPN7 3152/4885SIRT1 4721/4885
US-20010053866-A1 Process for the preparation of polyether polyols PCBP1, FHIT, PUF60 HSPA1A 3993/4885PTPN7 3152/4885SIRT1 4721/4885

“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.