SCHEMBL17952994

SCHEMBL17952994

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1CC1C(C)=Cc2c1cccc2N1c2ccccc2CCC1C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.33
HTR1A P08908 2/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CHRM2 P08172 2/20 0.30
CHRM4 P08173 2/20 0.30
CHRM1 P11229 2/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
PTPN11 Q06124 1/20 0.30
CHRM3 P20309 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
SCHEMBL17952993 0.90 ALDH1A1 (0.35) HTR7HTR1ACYP2D6SLC6A2SLC6A4
SCHEMBL17169026 0.89 L3MBTL1 (0.37) POLBL3MBTL1RXRARXRBRXRG
SCHEMBL17952986 0.87 RXRA (0.33) HTR7HTR1APOLBL3MBTL1RXRA
SCHEMBL19336696 0.86 HTR7 (0.33) HTR7HTR1APOLBL3MBTL1RXRA
SCHEMBL17952991 0.85 ROCK1 (0.35) POLBL3MBTL1RXRARXRBRXRG
SCHEMBL17082287 0.83 HTR1A (0.31) HTR7HTR1ARXRARXRBRXRG
SCHEMBL17952990 0.83 SMN1; SMN2 (0.34) HTR7HTR1ACYP2D6SLC6A2SLC6A4
SCHEMBL17952996 0.82 CHRM2 (0.34) HTR1APOLBL3MBTL1RXRARXRB
SCHEMBL17952984 0.82 CHRM2 (0.34) HTR7HTR1AL3MBTL1CHRM2CHRM4
SCHEMBL17952989 0.80 CHRM2 (0.35) HTR1APOLBL3MBTL1RXRARXRB

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-9790240-B2 Ligand compound, a preparation method thereof, a transition metal compound, and a preparation method thereof LG CHEM, LTD. (KR) 2017-10-17 US disclosed
US-20160215004-A1 A NOVEL LIGAND COMPOUND, A PREPARATION METHOD THEREOF, A TRANSITION METAL COMPOUND, AND A PREPARATION METHOD THEREOF LG CHEM, LTD. (KR) 2016-07-28 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-20160215004-A1 A NOVEL LIGAND COMPOUND, A PREPARATION METHOD THEREOF, A TRANSITION METAL COMPOUND, AND A PREPARATION METHOD THEREOF CD40LG, OSTC, TNFSF10 HTR7 3996/4885HTR1A 4211/4885POLB 3045/4885

“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.