SCHEMBL19511322

SCHEMBL19511322

CCCCC1CCc2ccc3c(c2N1)NCCC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 3/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ GHSR Q92847 2/20 0.32
▸ MTNR1A P48039 1/20 0.31
▸ MTNR1B P49286 1/20 0.31
▸ AR P10275 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ BCHE P06276 1/20 0.30

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
SCHEMBL19511225 0.88 AR (0.36) CYP1A2MTNR1AARALDH1A1LMNA
SCHEMBL19511212 0.84 AR (0.35) MTNR1AARALDH1A1
SCHEMBL19511293 0.81 AR (0.33) AR
SCHEMBL19511941 0.78 PRKCG (0.35) AR
SCHEMBL19511452 0.74 SRC (0.35) SRC
SCHEMBL19056880 0.73 SLC40A1 (0.39) KDM4ELMNATP53GAAMAPT
SCHEMBL19056871 0.72 CCR1 (0.35) ALDH1A1LMNAHTT
SCHEMBL19056884 0.71 PARP1 (0.32) PARP1
SCHEMBL19511770 0.71 SRC (0.46) KDM4EALDH1A1LMNATP53GAA
SCHEMBL19511342 0.71 SRC (0.33) ARSRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239156-B1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE OF SAME HANWHA CHEMICAL CORP (KR) 2023-03-01 — — EP disclosed
CN-107001500-B Novel group 4 transition metal compound and use thereof 韩华化学株式会社 2020-11-03 — — CN disclosed
US-10364302-B2 Group 4 transition metal compound and use thereof HANWHA CHEMICAL CORPORATION (KR) 2019-07-30 — — US disclosed
US-20180002461-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF HANWHA CHEMICAL CORPORATION (KR) 2018-01-04 — — US disclosed
EP-3239156-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE OF SAME Hanwha Chemical Corporation (KR) 2017-11-01 — — EP disclosed
CN-107001500-A The 4th novel group transition metal compound and application thereof 韩华化学株式会社 2017-08-01 — — 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-20180002461-A1 NOVEL GROUP 4 TRANSITION METAL COMPOUND AND USE THEREOF MORF4L1, TRPV4, TRPM4 PARP1 183/4885CYP1A2 1562/4885GHSR 4871/4885
US-10364302-B2 Group 4 transition metal compound and use thereof TRPM4, MORF4L1, TRPV4 PARP1 217/4885CYP1A2 1702/4885GHSR 4863/4885

“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.

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