SCHEMBL9907235

SCHEMBL9907235

CC(C)c1ccc2cccc(C(C)(C)C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.36
MCHR1 Q99705 5/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PLA2G1B P04054 1/20 0.32
MAPT P10636 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HPGDS O60760 1/20 0.31
METAP2 P50579 1/20 0.31

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
SCHEMBL4585312 0.76 CCR1 (0.43) MCHR1MAPTTSHRTDP1
SCHEMBL12926883 0.76 CA2 (0.40) CA2MCHR1GABRA1GABRB2ALDH1A1
SCHEMBL10265003 0.76 METAP2 (0.55) CA2GABRA1GABRB2MAPTTDP1
SCHEMBL2609306 0.76 AR (0.41) MCHR1ALDH1A1TSHRTDP1METAP2
SCHEMBL10199505 0.76 LMNA (0.41) CA2MCHR1GABRA1GABRB2ALDH1A1
SCHEMBL23456655 0.74 CCR1 (0.32)
SCHEMBL2609299 0.74 XPO1 (0.42) MCHR1ALDH1A1METAP2
SCHEMBL29296668 0.74 NCF1 (0.53) MCHR1
SCHEMBL22932120 0.74 MCHR1 (0.34) MCHR1MAPTTSHRTDP1METAP2
SCHEMBL15077050 0.74 AR (0.40) MCHR1ALDH1A1MAPTTSHRTDP1

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-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use REGENERON PHARMACEUTICALS, INC. 2020-12-10 US disclosed
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors SEQUOIA PHARMACEUTICALS, INC. (US) 2012-06-07 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 (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-20200385402-A1 Maytansinoid Derivatives, Conjugates Thereof, and Methods of Use SLC10A1, HNMT, OGFR CA2 3421/4885MCHR1 142/4885GABRA1 1910/4885
US-20120141414-A1 Bimacrocylic HCV NS3 Protease Inhibitors HAVCR2, CTRC, CTSC CA2 3367/4885MCHR1 4607/4885GABRA1 3434/4885

“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.