SCHEMBL21169213

SCHEMBL21169213

CCCN(CCC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 4/20 0.47
LMNA P02545 3/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2B P41595 2/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.44
ADRA2C P18825 1/20 0.44
SLC6A4 P31645 1/20 0.44
ADRA1A P35348 1/20 0.44
DRD3 P35462 1/20 0.44
OPRK1 P41145 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AR P10275 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL5500471 0.93 CYP3A4 (0.44) CETPLMNATSHRMAPK1HTR2A
SCHEMBL23072505 0.92 TAAR1 (0.46) CETPLMNATSHRMAPK1HTR2A
SCHEMBL7752962 0.89 AR (0.45) CETPTSHRMAPK1HTR2AHTR2B
SCHEMBL19265466 0.86 HTR7 (0.43) CETPLMNATSHRMAPK1HTR2A
SCHEMBL8626864 0.85 CYP3A4 (0.55) CETPLMNATSHRMAPK1HTR2A
SCHEMBL23222205 0.82 LMNA (0.39) CETPLMNATSHRMAPK1HTR2A
SCHEMBL10700469 0.81 MEN1 (0.54) CETPTSHRMAPK1CYP3A4MAPT
SCHEMBL10734840 0.81 CETP (0.47) CETPTSHRMAPK1HTR2AHTR2B
SCHEMBL5073885 0.79 RORC (0.47) LMNATSHRMAPK1CYP3A4TDP1
SCHEMBL4617153 0.78 CETP (0.43) CETPLMNATSHRMAPK1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109661961-A A method of inhibit tree species to generate willow catkins flying in the air or flying hair 北京市园林科学研究院 2019-04-23 CN claimed
CN-109644757-A A method of inhibiting the bud differentiation of ginkgo female plant 北京市园林科学研究院 2019-04-19 CN claimed
CN-109362741-A A method of inhibit plant to generate Allergic pollen 北京市园林科学研究院 2019-02-22 CN claimed
CN-109329280-A A kind of medicament and its application method inhibiting evergreen landscape tree species bud differentiation 北京市园林科学研究院 2019-02-15 CN claimed
EP-3207929-B1 COLCHICINE DERIVATIVES FOR THE TREATMENT OF CANCER CALIFORNIA PACIFIC MEDICAL CENTER (US) 2021-05-26 EP disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 US disclosed
CN-109661961-A A method of inhibit tree species to generate willow catkins flying in the air or flying hair 北京市园林科学研究院 2019-04-23 CN disclosed
CN-109644757-A A method of inhibiting the bud differentiation of ginkgo female plant 北京市园林科学研究院 2019-04-19 CN disclosed
CN-109362741-A A method of inhibit plant to generate Allergic pollen 北京市园林科学研究院 2019-02-22 CN disclosed
CN-109329280-A A kind of medicament and its application method inhibiting evergreen landscape tree species bud differentiation 北京市园林科学研究院 2019-02-15 CN disclosed
CN-87104533-A Heterogeneous ring compound 1988-01-20 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 CETP 2990/4885LMNA 3409/4885TSHR 4428/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 CETP 3121/4885LMNA 3509/4885TSHR 4461/4885

“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.