SCHEMBL2216450

SCHEMBL2216450

CCOC(=O)CC(C(=O)O)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HIF1A Q16665 1/20 0.42
TSHR P16473 2/20 0.42
ALDH1A1 P00352 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.37
POLB P06746 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TP53 P04637 1/20 0.36
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36

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
SCHEMBL1245676 0.88 CYP2D6 (0.60) CYP2D6TSHRALDH1A1NPSR1L3MBTL1
SCHEMBL3654740 0.86 CYP2D6 (0.61) CYP2D6TSHRALDH1A1NPSR1L3MBTL1
SCHEMBL2420657 0.84 MAPT (0.44) CYP2D6CYP2C9CYP2C19HIF1ATSHR
SCHEMBL28467253 0.84 CYP2D6 (0.41) CYP2D6CYP2C9CYP2C19HIF1ATSHR
SCHEMBL16415925 0.81 HIF1A (0.39) CYP2D6CYP2C9CYP2C19HIF1ATSHR
SCHEMBL7696506 0.81 CYP2D6 (0.49) CYP2D6TSHRALDH1A1NPSR1L3MBTL1
SCHEMBL1866738 0.79 CYP2D6 (0.47) CYP2D6TSHRALDH1A1NPSR1L3MBTL1
SCHEMBL13681637 0.79 CYP2D6 (0.47) CYP2D6TSHRALDH1A1NPSR1L3MBTL1
SCHEMBL5682017 0.79 CYP2D6 (0.47) CYP2D6TSHRALDH1A1NPSR1L3MBTL1
SCHEMBL27545267 0.79 CYP2D6 (0.47) CYP2D6TSHRALDH1A1NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382306-B2 Octapeptide compounds derived from somatostatin and the therapeutic use thereof IPSEN PHARMA S.A.S. (FR) 2016-07-05 US disclosed
US-20110178013-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THE THERAPEUTIC USE THEREOF IPSEN PHARMA S.A.S. (FR) 2011-07-21 US disclosed
EP-0163284-B1 SUBSTITUTED CHROMANON-2-YL ALKANOLS AND DERIVATIVES THEREOF G.D. Searle & Co. (US) 1989-01-04 EP disclosed
EP-0163284-A2 Substituted chromanon-2-yl alkanols and derivatives thereof G.D. Searle & Co. (US) 1985-12-04 EP disclosed
US-4546194-A Substituted chromanon-2-yl alkanols and derivatives thereof G. D. SEARLE & CO. (US) 1985-10-08 US disclosed
US-4125713-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-11-14 US disclosed
US-4125712-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-11-14 US disclosed
US-4013688-A STEROIDS THE UPJOHN COMPANY (US) 1977-03-22 US disclosed
US-3948981-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1976-04-06 US disclosed
US-3933891-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-01-20 US disclosed
US-3931284-A 11β-PGE2 compounds THE UPJOHN COMPANY (US) 1976-01-06 US disclosed
US-3931283-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1976-01-06 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 (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-20110178013-A1 NOVEL OCTAPEPTIDE COMPOUNDS DERIVED FROM SOMATOSTATIN AND THE THERAPEUTIC USE THEREOF SSTR5, SSTR1, SSTR3 CYP2D6 1821/4885CYP2C9 3614/4885CYP2C19 3034/4885

“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.