SCHEMBL5997644

SCHEMBL5997644

C=CCOC(=O)C(CN1C(=O)c2c(F)ccc(F)c2C1=O)C1(C)OCCO1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
AVPR1A P37288 1/20 0.31
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30

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
SCHEMBL5998674 0.90 NPSR1 (0.39) NPSR1TSHRMAPK1AVPR1AALDH1A1
SCHEMBL5996174 0.87 PIN1 (0.33) TSHRMAPK1MAPTALDH1A1
SCHEMBL5998937 0.79 NPSR1 (0.39) NPSR1POLBTSHRMAPK1MAPT
SCHEMBL5996055 0.77 HPGD (0.37) NPSR1TSHRMAPK1AVPR1AMAPT
SCHEMBL5996858 0.73 PIN1 (0.36) NPSR1POLBTSHRMAPK1MAPT
SCHEMBL5998111 0.72 TNF (0.35) NPSR1POLBAVPR1AMAPTALDH1A1
SCHEMBL5998821 0.71 TDP1 (0.32) POLBTSHRMAPT
SCHEMBL5997107 0.71 ALDH1A1 (0.40) POLBAVPR1AMAPTALDH1A1
SCHEMBL5997630 0.71 ALDH1A1 (0.40) POLBTSHRMAPK1ALDH1A1
SCHEMBL5998273 0.70 ALDH1A1 (0.37) POLBTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7094908-B2 Reduction of carbonyl compounds using the carbonyl reductase of Kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2006-08-22 US disclosed
US-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2003-07-24 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-20030139464-A1 Reduction of carbonyl compounds using the carbonyl reductase of kluyveromyces marxianus CBR1, CBR3, DCXR NPSR1 2849/4885POLB 1119/4885TSHR 3901/4885

“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.