SCHEMBL19971988

SCHEMBL19971988

CC(N)C(N)Cc1ccccc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.47
TSHR P16473 3/20 0.47
HIF1A Q16665 1/20 0.47
HSPA5 P11021 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
CA12 O43570 5/20 0.44
CA2 P00918 5/20 0.44
IDO1 P14902 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP3A4 P08684 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CA9 Q16790 4/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
AKR1B1 P15121 1/20 0.41

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
SCHEMBL5914402 0.83 SLC6A2 (0.50) HSPA5TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL4742791 0.83 SLC6A2 (0.50) HSPA5TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL266416 0.83 SLC6A2 (0.50) HSPA5TAAR1SLC6A2SLC6A4SLC6A3
Iodide SCHEMBL6052802 0.82 SLC6A2 (0.49) HSPA5TAAR1SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL724080 0.82 SLC6A2 (0.49) TAAR1IDO1POLBMAPK1SLC6A2
Bromide SCHEMBL6052803 0.82 SLC6A2 (0.49) HSPA5TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL3071437 0.79 HSPA5 (0.54) CYP2D6TSHRHIF1AHSPA5TAAR1
SCHEMBL108067 0.79 GABRA1 (0.64) CYP2D6TSHRHIF1AHSPA5TAAR1
SCHEMBL25435714 0.78 HSPA5 (0.45) CYP2D6TSHRHIF1AHSPA5TAAR1
SCHEMBL19971984 0.78 TAAR1 (0.44) CYP2D6TSHRHIF1AHSPA5TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109837109-A A kind of vehicle environment protection hybrid fuel 新昌县正茂建筑材料有限公司 2019-06-04 CN claimed
CN-108659893-A Coal-Based Jet Fuels 国家能源投资集团有限责任公司 2018-10-16 CN claimed
CN-106379107-B Electric bicycle hub cap 瞿勤荣 2018-08-07 CN claimed
EP-3274328-B1 AMINE FOR FAST SETTING EPOXY RESIN COMPOSITIONS SIKA TECH AG (CH) 2019-08-28 EP disclosed
CN-109837109-A A kind of vehicle environment protection hybrid fuel 新昌县正茂建筑材料有限公司 2019-06-04 CN disclosed
CN-109837109-A A kind of vehicle environment protection hybrid fuel 新昌县正茂建筑材料有限公司 2019-06-04 CN disclosed
US-10221344-B2 Amine for rapid-curing epoxy resin compositions SIKA TECHNOLOGY AG (CH) 2019-03-05 US disclosed
CN-108998126-A A kind of diesel fuel complex additive and preparation method thereof 徐州蓝海能源科技有限公司 2018-12-14 CN disclosed
CN-108659893-A Coal-Based Jet Fuels 国家能源投资集团有限责任公司 2018-10-16 CN disclosed
CN-106379107-B Electric bicycle hub cap 瞿勤荣 2018-08-07 CN disclosed
US-20180079710-A1 AMINE FOR RAPID-CURING EPOXY RESIN COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2018-03-22 US disclosed
CN-107428911-A Amine for fast-curing epoxy resin composition SIKA技术股份公司 2017-12-01 CN disclosed
CN-106379107-A Hub cap of electric vehicle 瞿勤荣 2017-02-08 CN 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-10221344-B2 Amine for rapid-curing epoxy resin compositions EEF1A1, KDM5B, EEF1A2 CYP2D6 1587/4885TSHR 3954/4885HIF1A 193/4885
US-20180079710-A1 AMINE FOR RAPID-CURING EPOXY RESIN COMPOSITIONS EEF1A1, KDM5B, SEM1 CYP2D6 1542/4885TSHR 3975/4885HIF1A 189/4885

“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.