SCHEMBL20154912

SCHEMBL20154912

CCc1c(C(C)C)sc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.41
ALOX5 P09917 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
ATM Q13315 1/20 0.36
CYP2D6 P10635 2/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
KDM4E B2RXH2 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL14045624 0.75 CNR2 (0.46) GPR3L3MBTL1ATMCYP2D6CHRM1
SCHEMBL15450945 0.75 CYP1A2 (0.51) GPR3L3MBTL1ATMCYP2D6HTR2A
SCHEMBL12896179 0.75 GPR3 (0.46) GPR3ALOX5CYP2D6CHRM1HRH1
SCHEMBL12425595 0.75 GPR3 (0.46) GPR3ALOX5KDM4ERAB9AMEN1
SCHEMBL256692 0.73 GPR3 (0.44) GPR3L3MBTL1ATMCYP2D6KDM4E
SCHEMBL22789121 0.73 GPR3 (0.44) GPR3ALOX5KDM4ERAB9AMEN1
SCHEMBL12767846 0.73 ALOX5 (0.56) GPR3ALOX5L3MBTL1KDM4ERAB9A
SCHEMBL25604280 0.73 GPR3 (0.44) GPR3ALOX5CYP2D6CHRM1HTR2A
SCHEMBL14156519 0.70 CNR2 (0.43) GPR3CYP2D6CHRM1HRH1LOXL2
SCHEMBL31691151 0.70 NPY1R (0.49) GPR3L3MBTL1ATMCYP2D6CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11014928-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2021-05-25 US disclosed
US-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2020-08-06 US disclosed
US-10414770-B2 Compounds and methods for inhibiting mitotic progression MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-09-17 US disclosed
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION MILLENNIUM PHARMACEUTICALS, INC. 2018-05-17 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 (4 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-20200247810-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB GPR3 3607/4885ALOX5 4376/4885L3MBTL1 2658/4885
US-10414770-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB GPR3 3607/4885ALOX5 4376/4885L3MBTL1 2658/4885
US-20180134716-A1 COMPOUNDS AND METHODS FOR INHIBITING MITOTIC PROGRESSION AURKC, AURKA, AURKB GPR3 3607/4885ALOX5 4376/4885L3MBTL1 2658/4885
US-11014928-B2 Compounds and methods for inhibiting mitotic progression AURKC, AURKA, AURKB GPR3 3607/4885ALOX5 4376/4885L3MBTL1 2658/4885

“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.