SCHEMBL862703

SCHEMBL862703

CCCCOC(=O)C(C)(C#N)CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 5/20 0.43
HPGD P15428 1/20 0.43
ATM Q13315 1/20 0.41
HCAR2 Q8TDS4 1/20 0.37
NAAA Q02083 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
EPHX1 P07099 1/20 0.34
ESR1 P03372 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPK1 P28482 1/20 0.34
NR1H2 P55055 1/20 0.34
RNASEL Q05823 1/20 0.34

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
SCHEMBL14557124 0.82 TSHR (0.33) ALDH1A1TSHR
SCHEMBL18704240 0.81 ALDH1A1 (0.47) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL3248205 0.81 MEN1 (0.48) ALDH1A1TSHRLMNACYP2C9CYP1A2
SCHEMBL28243676 0.79 ALDH1A1 (0.44) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL7792934 0.79 ALDH1A1 (0.44) ALDH1A1TSHRHPGDATMHCAR2
Water SCHEMBL27584247 0.77 ALDH1A1 (0.54) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL14997791 0.76 MEN1 (0.33) ALDH1A1TSHR
SCHEMBL17617173 0.76 ALDH1A1 (0.41) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL17617211 0.76 ALDH1A1 (0.41) ALDH1A1TSHRHPGDATMHCAR2
SCHEMBL28626937 0.75 ALDH1A1 (0.44) ALDH1A1TSHRHPGDATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8142977-B2 mixture of resin which decomposes under acid under exposure to actinic radiation, acid generator FUJIFILM CORPORATION (JP) 2012-03-27 US disclosed
US-20100196280-A1 FUNCTIONALIZED SOLID POLYMER NANOPARTICLES FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-08-05 US disclosed
US-20090148384-A1 FUNCTIONALIZED, SOLID POLYMER NANOPARTICLES COMPRISING EPOTHILONES BAYER SCHERING PHARMA AG (DE) 2009-06-11 US disclosed
US-20080241749-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-10-02 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 (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-20090148384-A1 FUNCTIONALIZED, SOLID POLYMER NANOPARTICLES COMPRISING EPOTHILONES EPOR, SELPLG, SELP ALDH1A1 1072/4885TSHR 1533/4885HPGD 823/4885
US-20100196280-A1 FUNCTIONALIZED SOLID POLYMER NANOPARTICLES FOR DIAGNOSTIC AND THERAPEUTIC APPLICATIONS CD63, CD44, SELPLG ALDH1A1 3044/4885TSHR 1560/4885HPGD 2750/4885

“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.