SCHEMBL23479028

SCHEMBL23479028

CC(C)(C)c1ccc2c(F)cccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.41
NR1I2 O75469 1/20 0.41
KCNH2 Q12809 1/20 0.38
SCD O00767 1/20 0.38
ALOX5AP P20292 1/20 0.37
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACHE P22303 3/20 0.36
RAB9A P51151 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
NPC1 O15118 1/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 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
SCHEMBL23479293 0.85 KIF11 (0.41) KIF11NR1I2KCNH2SCDALOX5AP
SCHEMBL19798851 0.78 HPRT1 (0.42) KIF11NR1I2KCNH2SCDALOX5AP
SCHEMBL19798871 0.77 PLAU (0.53) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL23479608 0.77 ALDH1A1 (0.48) KIF11NR1I2ALDH1A1HPGDALOX15
SCHEMBL23479296 0.77 CYP1A2 (0.48) KIF11NR1I2ALDH1A1HPGDALOX15
SCHEMBL25564082 0.76 MAPT (0.33) ALDH1A1HPGDHSD17B10RAB9ANPC1
SCHEMBL10409091 0.76 ALDH1A1 (0.54) KIF11NR1I2KCNH2ALDH1A1HPGD
SCHEMBL20043182 0.74 KCNH2 (0.42) KIF11NR1I2KCNH2SCDALOX5AP
SCHEMBL16160155 0.74 MAPK14 (0.47) KIF11NR1I2ALDH1A1HPGDHSD17B10
SCHEMBL27241188 0.74 NR1I2 (0.39) KIF11NR1I2ALDH1A1HPGDALOX15

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-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 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-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 KIF11 3394/4885NR1I2 4379/4885KCNH2 4493/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 KIF11 3394/4885NR1I2 4379/4885KCNH2 4493/4885

“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.