SCHEMBL22373336

SCHEMBL22373336

CCc1ccc2c3ccc(C(C)C)cc3n(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MAPT P10636 3/20 0.38
TSHR P16473 2/20 0.38
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PHGDH O43175 1/20 0.36
RORA P35398 1/20 0.36
RORC P51449 1/20 0.36
RORB Q92753 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 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
SCHEMBL12611289 0.86 KIF11 (0.41) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL20411991 0.86 HPGD (0.50) HPGDKDM4EALDH1A1HSD17B10PSEN1
SCHEMBL20121768 0.85 AKR1C3 (0.36) ALDH1A1PSEN1PSEN2APH1BNCSTN
SCHEMBL12570842 0.77 GPR3 (0.59) HPGDKDM4EALDH1A1HSD17B10MAPT
SCHEMBL327665 0.77 PSEN1 (0.44) HPGDKDM4EALDH1A1HSD17B10PSEN1
SCHEMBL20411990 0.77 HPGD (0.47) HPGDKDM4EALDH1A1HSD17B10PSEN1
SCHEMBL13968506 0.77 KDM4E (0.64) HPGDKDM4EALDH1A1HSD17B10PSEN1
SCHEMBL13564039 0.77 PSEN1 (0.43) HPGDKDM4EALDH1A1HSD17B10PSEN1
SCHEMBL13522723 0.76 RXRA (0.42) RXRARXRBL3MBTL1KIF11NPC1
SCHEMBL1102532 0.75 GPR3 (0.55) HPGDKDM4EALDH1A1HSD17B10MAPT

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-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-09 US disclosed
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 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-10913761-B2 2,7-dibromospiro[fluorene-9,4′-piperidine] compounds DHPS, CFTR, FDPS HPGD 454/4885KDM4E 3207/4885ALDH1A1 283/4885
US-20200270293-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 HPGD 1166/4885KDM4E 3884/4885ALDH1A1 1603/4885

“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.