SCHEMBL22375205

SCHEMBL22375205

CCS(CC)(C1=Cc2c(ccc3ccccc23)C1)C1=Cc2c(ccc3ccccc23)C1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPT P10636 2/20 0.33
CYP2A6 P11509 2/20 0.33
TSHR P16473 2/20 0.33
GAA P10253 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 2/20 0.32
CYP2C9 P11712 1/20 0.32
HPRT1 P00492 1/20 0.31
G6PD P11413 1/20 0.31
ANPEP P15144 1/20 0.31
CYP2D6 P10635 1/20 0.31
PTPN22 Q9Y2R2 1/20 0.31
KMT2A Q03164 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
SCHEMBL29481537 0.74 KDM4E (0.43) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL1822675 0.74 KDM4E (0.43) KDM4EALDH1A1HSD17B10TDP1MAPT
Lithium SCHEMBL29773580 0.73 KDM4E (0.42) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL19100121 0.69 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL29714910 0.69 ALDH1A1 (0.41) KDM4EALDH1A1HSD17B10TDP1CYP2A6
SCHEMBL28348030 0.67 ALDH1A1 (0.38) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL7635425 0.67 HPRT1 (0.50) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL8516731 0.66 KDM4E (0.39) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL21326201 0.65 ALDH1A1 (0.39) KDM4EALDH1A1HSD17B10TDP1MAPT
SCHEMBL9681752 0.65 ANPEP (0.42) KDM4EALDH1A1HSD17B10TDP1CYP2A6

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-11040995-B2 Catalyst comprising a metallocene complex and co-catalyst SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2021-06-22 US disclosed
US-20200270292-A1 CATALYST COMPRISING A METALLOCENE COMPLEX AND CO-CATALYST SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-08-27 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-11040995-B2 Catalyst comprising a metallocene complex and co-catalyst CCRL2, UBE2L3, MAL2 KDM4E 1016/4885ALDH1A1 4436/4885HSD17B10 2375/4885
US-20200270292-A1 CATALYST COMPRISING A METALLOCENE COMPLEX AND CO-CATALYST LAS1L, CCNE2, CKS2 KDM4E 517/4885ALDH1A1 4402/4885HSD17B10 2854/4885

“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.