SCHEMBL4447210

SCHEMBL4447210

C=CC1OC1CCCCCCC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.39
SPHK1 Q9NYA1 5/20 0.37
SPHK2 Q9NRA0 4/20 0.37
EPHX1 P07099 1/20 0.36
POLB P06746 1/20 0.36
FASN P49327 1/20 0.36
ALOX5 P09917 1/20 0.35
THRB P10828 1/20 0.33
GBA1 P04062 1/20 0.32

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
SCHEMBL8782117 1.00 TSHR (0.43) TSHRALDH1A1SPHK1SPHK2EPHX1
SCHEMBL4447204 1.00 TSHR (0.43) TSHRALDH1A1SPHK1SPHK2EPHX1
SCHEMBL13863985 1.00 TSHR (0.43) TSHRALDH1A1SPHK1SPHK2EPHX1
SCHEMBL4447205 1.00 TSHR (0.43) TSHRALDH1A1SPHK1SPHK2EPHX1
SCHEMBL15093177 0.98 TSHR (0.39) TSHRALDH1A1SPHK1SPHK2EPHX1
SCHEMBL7033921 0.98 TSHR (0.39) TSHRALDH1A1SPHK1SPHK2EPHX1
SCHEMBL814218 0.91
SCHEMBL28596274 0.91 TSHR (0.45) TSHRPOLBALOX5
SCHEMBL27692179 0.84 TSHR (0.34) TSHRALDH1A1SPHK1SPHK2EPHX1
SCHEMBL28055784 0.84 TSHR (0.34) TSHRALDH1A1SPHK1SPHK2EPHX1

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
US-8404872-B2 Production of 2,5-dihydrofurans and analogous compounds CORNELL UNIVERSITY (US) 2013-03-26 US disclosed
CN-101448807-B Production of 2,5-dihydrofurans and analogous compounds CORNELL RES FOUNDATION INC 2013-02-06 CN disclosed
CN-101448807-A Production of 2,5-dihydrofurans and analogous compounds CORNELL RES FOUNDATION INC (US) 2009-06-03 CN disclosed
US-20090131691-A1 Production of 2,5-Dihydrofurans and Analogous Compounds CORNELL RESEARCH FOUNDATION INC. (US) 2009-05-21 US disclosed
WO-2007108999-A2 PRODUCTION OF 2,5-DIHYDROFURANS AND ANALOGOUS COMPOUNDS CORNELL UNIVERSITY (US) 2007-09-27 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 (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-20090131691-A1 Production of 2,5-Dihydrofurans and Analogous Compounds DHPS, DHFR, DHODH TSHR 2635/4885ALDH1A1 87/4885SPHK1 1856/4885

“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.