SCHEMBL20121768

SCHEMBL20121768

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
MAPK1 P28482 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MIF P14174 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL18649225 0.86 KIF11 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22373336 0.85 HPGD (0.41) AKR1C3AKR1C2PSEN1PSEN2APH1B
SCHEMBL20121819 0.78 LMNA (0.37) MAPTCYP1A2CYP2A6MAPK1L3MBTL1
SCHEMBL27100914 0.72 MAOA (0.35) KIF11IDO1
SCHEMBL19546070 0.72 RORA (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL25922516 0.71 PGR (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24272475 0.70 ELANE (0.38) AKR1C3AKR1C2MAPTTP53CYP1A2
SCHEMBL19602883 0.70 NPC1 (0.39) AKR1C3AKR1C2MAPTTP53CYP1A2
SCHEMBL31391056 0.70 AKR1C3 (0.64) AKR1C3AKR1C2MAPTCYP1A2CYP2A6
SCHEMBL18563344 0.70 AKR1C3 (0.59) AKR1C3AKR1C2MAPTTP53CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10669298-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-06-02 US disclosed
US-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections VERTEX PHARMACEUTICALS INCORPORATED 2019-04-11 US disclosed
US-9963478-B2 Mannose derivatives for treating bacterial infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-05-08 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-20190106450-A1 Mannose Derivatives for Treating Bacterial Infections MPI, MANBA, MAN2A1 AKR1C3 376/4885AKR1C2 506/4885PSEN1 3895/4885
US-10669298-B2 Mannose derivatives for treating bacterial infections MPI, MANBA, MAN2A1 AKR1C3 376/4885AKR1C2 506/4885PSEN1 3895/4885

“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.