SCHEMBL4487641

SCHEMBL4487641

[CH2]CC(OCCCCC)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.41
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GBA1 P04062 1/20 0.32
LPAR1 Q92633 4/20 0.32
LPAR3 Q9UBY5 4/20 0.32
LPAR2 Q9HBW0 1/20 0.32
SPHK1 Q9NYA1 1/20 0.31
MGAM O43451 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.31

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
SCHEMBL4486370 0.93 DNM1 (0.33) DNM1TSHR
SCHEMBL4497723 0.84 LMNA (0.33)
SCHEMBL27637123 0.82 DNM1 (0.43) DNM1ALDH1A1CNR1CNR2GBA1
SCHEMBL4499214 0.82 DNM1 (0.43) DNM1ALDH1A1CNR1CNR2LPAR1
SCHEMBL6939087 0.80 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2SPHK1
SCHEMBL6934843 0.80 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2SPHK1
SCHEMBL6940334 0.80 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2SPHK1
SCHEMBL6934387 0.80 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2SPHK1
SCHEMBL6934689 0.80 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2SPHK1
SCHEMBL6937785 0.80 DNM1 (0.47) DNM1LPAR1LPAR3LPAR2SPHK1

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
EP-1655291-B1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO (JP) 2016-08-03 EP disclosed
US-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. 2009-12-24 US disclosed
US-7601746-B2 Compounds exhibiting thrombopoietin receptor agonism SHIONOGI & CO., LTD. (JP) 2009-10-13 US disclosed
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid EDDINGPHARM (HONG KONG) COMPANY LIMITED (CN) 2007-02-22 US disclosed
EP-1655291-A1 COMPOUNDS HAVING THROMBOPOIETIN RECEPTOR AGONISM SHIONOGI & CO., LTD. (JP) 2006-05-10 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 (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-20090318513-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN RECEPTOR AGONISM MPL, TEK, GHRHR DNM1 3781/4885ALDH1A1 2953/4885CNR1 172/4885
US-20070043087-A1 Such as 3-{2,6-difluoro-4-[4,5-dihydro-6-(3,3-dimethylbutyl)naphtho[1,2-d]thiazol-2-ylcabamoyl)phenyl]-2-methylacrylic acid DHFR, NAT1, ACR DNM1 2139/4885ALDH1A1 10/4885CNR1 1423/4885

“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.