SCHEMBL19741474

SCHEMBL19741474

COC(=O)Cc1ccccc1-c1ccccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 4/20 0.44
POLB P06746 1/20 0.44
AR P10275 1/20 0.41
KDM4E B2RXH2 2/20 0.40
NLRP3 Q96P20 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR2 Q92731 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1558841 0.87 ALDH1A1 (0.51) ALDH1A1TSHRHPGDGAAPOLB
SCHEMBL29852731 0.80 ALDH1A1 (0.46) ALDH1A1TSHRHPGDGAAPOLB
SCHEMBL6163833 0.79 AR (0.44) HPGDAR
SCHEMBL14660828 0.79 XDH (0.47) ALDH1A1TSHRHPGDGAAPOLB
SCHEMBL19753705 0.78 ESR2 (0.45) ALDH1A1TSHRHPGDGAAESR2
SCHEMBL6136332 0.78 DPP4 (0.46) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL27762059 0.77 ESR2 (0.44) ALDH1A1TSHRARESR2
SCHEMBL6136439 0.76 KDM4E (0.43) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL5099244 0.76 KMT2A (0.47) ALDH1A1TSHRGAAPOLBKDM4E
SCHEMBL6166508 0.76 ADRA2C (0.56) ALDH1A1TSHRCYP1A2CYP3A4CYP2C19

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-20170373257-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-12-28 US disclosed
US-20170373257-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-12-28 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-20170373257-A1 Organic Compound, Light-Emitting Element, Light-Emitting Device, Electronic Device, and Lighting Device B4GALT1, CCNT1, CYP1A1 ALDH1A1 179/4885TSHR 2874/4885HPGD 2237/4885

“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.