Sugi Predict

Sugi Predict / Compounds / SCHEMBL2256208

SCHEMBL2256208

SCHEMBL2256208

CCOC(=O)C(O)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TSHR P16473 3/20 0.48
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ THRB P10828 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.42
▸ METAP2 P50579 1/20 0.40
▸ SHBG P04278 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ PPM1B O75688 1/20 0.40
▸ PTPN1 P18031 1/20 0.40

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
SCHEMBL5407976 0.94 ALDH1A1 (0.46) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL29998004 0.90 L3MBTL1 (0.46) ALDH1A1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL380982 0.90 L3MBTL1 (0.46) ALDH1A1NPSR1TSHRL3MBTL1KDM4E
SCHEMBL660922 0.82 ALDH1A1 (0.54) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL1433202 0.82 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL18022794 0.82 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL17793351 0.82 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL1785494 0.82 ALDH1A1 (0.54) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL31409193 0.82 ALDH1A1 (0.62) ALDH1A1NPSR1TSHRL3MBTL1THRB
SCHEMBL4575008 0.81 ALDH1A1 (0.40) ALDH1A1NPSR1TSHRL3MBTL1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716182-B2 Liquid aqueous crop protection formulations BASF SE (DE) 2014-05-06 — — US disclosed
US-20110195839-A1 Liquid Aqueous Crop Protection Formulations BASF SE (DE) 2011-08-11 — — US disclosed
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2011-07-21 — — US disclosed
US-20090270381-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2009-10-29 — — US disclosed
US-20090270381-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2009-10-29 — — US disclosed
US-20090270381-A1 Non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AG (DE) 2009-10-29 — — US disclosed
WO-2009077186-A1 NONSTEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESLLSCHAFT (DE) 2009-06-25 — — WO disclosed
EP-2070909-A1 Non-steroidal progesterone receptor modulators Bayer Schering Pharma AG (DE) 2009-06-17 — — 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 (3 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-20090270381-A1 Non-steroidal progesterone receptor modulators PGR, PGRMC1, PGRMC2 ALDH1A1 1257/4885NPSR1 95/4885TSHR 121/4885
US-20110195839-A1 Liquid Aqueous Crop Protection Formulations AQP1, GANC, BROX ALDH1A1 2866/4885NPSR1 3803/4885TSHR 4639/4885
US-20110178090-A1 SUBSTITUTED-QUINOXALINE-TYPE BRIDGED-PIPERIDINE COMPOUNDS AND THE USES THEREOF OPRK1, OPRD1, P2RX4 ALDH1A1 196/4885NPSR1 181/4885TSHR 4134/4885

“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.