SCHEMBL18854027

SCHEMBL18854027

Cc1ccc2c(c1C)NCC2C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ KIF11 P52732 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.32
▸ GAPDH P04406 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HSPA1A P0DMV8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HSPA8 P11142 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ DUSP1 P28562 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ PTPN7 P35236 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ BLM P54132 1/20 0.32

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
SCHEMBL5673495 0.69 HTR2C (0.34) ALDH1A1MAPTHTR2C
SCHEMBL13802926 0.67 HTR2C (0.48) HTR2CCDC7
SCHEMBL14485123 0.66 KDM4E (0.39) KDM4EMEN1ALOX15KMT2AHSD17B10
SCHEMBL20910643 0.66 MEN1 (0.54) KDM4EMEN1ALOX15KMT2AHSD17B10
SCHEMBL1615464 0.64 PRCP (0.38) MEN1KMT2ACDC7
SCHEMBL10092697 0.63 CHRNB2 (0.40) KDM4EKIF11ALDH1A1MAPTHPGD
SCHEMBL15723692 0.63 KDM4E (0.37) KDM4EMEN1ALOX15KMT2AHSD17B10
SCHEMBL28821585 0.60 KDM4E (0.33) KDM4EMEN1ALOX15KMT2AHSD17B10
SCHEMBL10840386 0.59 AR (0.36) KDM4EMEN1ALOX15KMT2AHSD17B10
SCHEMBL25493850 0.58 HTR2C (0.37) HTR2CCDC7

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-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — 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 (1 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-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN KDM4E 1590/4885MEN1 2645/4885ALOX15 1237/4885

“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.

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