SCHEMBL7567033

SCHEMBL7567033

CC(Nc1cccc2ccccc12)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA2 P00918 1/20 0.53
MMP2 P08253 1/20 0.53
MMP9 P14780 1/20 0.53
MMP8 P22894 1/20 0.53
MMP14 P50281 1/20 0.53
CA14 Q9ULX7 1/20 0.53
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
TP53 P04637 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CDC25B P30305 1/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL18027646 0.82 MEN1 (0.53) ALDH1A1CYP3A4ALOX15MEN1KMT2A
SCHEMBL28126564 0.81 ALDH1A1 (0.52) CA12CA2MMP2MMP9MMP8
SCHEMBL729010 0.80 IDO1 (0.55) CA12CA2MMP2MMP9MMP8
SCHEMBL32575454 0.80 IDO1 (0.55) CA12CA2MMP2MMP9MMP8
SCHEMBL7629478 0.80 CYP3A4 (0.51) CA12CA2MMP2MMP9MMP8
SCHEMBL7629487 0.80 CYP3A4 (0.51) CA12CA2MMP2MMP9MMP8
SCHEMBL30437405 0.78 MEN1 (0.48) MEN1KMT2AMAPTHTTGALR3
SCHEMBL8783600 0.77 ALDH1A1 (0.57) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL11336488 0.77 CA12 (0.56) CA12CA2MMP2MMP9MMP8
SCHEMBL3232676 0.77 CA12 (0.51) CA12CA2MMP2MMP9MMP8

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
CN-108358793-B Secondary amine compound synthesized from alkyne and synthesis method thereof 三峡大学 2021-03-23 CN disclosed
CN-110381955-A For preventing and treating the pharmaceutical composition containing adenosine derivative of glaucoma 未来制药有限公司 2019-10-25 CN disclosed
CN-109906083-A Pharmaceutical composition containing adenosine derivative for preventing and treating non-alcoholic steatohepatitis, hepatic fibrosis and liver cirrhosis 未来制药有限公司 2019-06-18 CN disclosed
US-6384282-B2 CATALYST IS REACTION PRODUCT OF GROUP 8 METAL AND LIGAND YALE UNIVERSITY 2002-05-07 US disclosed
US-20020016509-A1 Transition metal-catalyzed process for addition of amines to carbon-carbon double bonds YALE UNIVERSITY 2002-02-07 US disclosed
CN-1089984-A Method for producing water-proof material WU YANQIU (CN) 1994-07-27 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 (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-20020016509-A1 Transition metal-catalyzed process for addition of amines to carbon-carbon double bonds COASY, CMA1, ATIC CA12 263/4885CA2 115/4885MMP2 4131/4885

“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.