SCHEMBL18596249

SCHEMBL18596249

CC(C)(C)c1ccc(I)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALOX5AP P20292 1/20 0.41
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
KIF11 P52732 3/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
TYR P14679 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
PLA2G1B P04054 1/20 0.35
NFKB1 P19838 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
SCHEMBL19122701 0.82 ALDH1A1 (0.41) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL17740364 0.79 PDE2A (0.46) ALOX5APGAATSHRMAPK1PDE2A
SCHEMBL30329053 0.79 PDE2A (0.46) ALOX5APGAATSHRMAPK1PDE2A
SCHEMBL21691223 0.78 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL828570 0.78 ALDH1A1 (0.46) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL6685327 0.77 APP (0.42) MAPTGAAMEN1KMT2ANPC1
SCHEMBL12690267 0.76 TSHR (0.46) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL22560745 0.74 ALDH1A1 (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL1694994 0.74 ALDH1A1 (0.43) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL799584 0.74 TSHR (0.44) ALDH1A1HPGDALOX15HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 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 (3 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-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885HPGD 3586/4885ALOX15 1847/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885HPGD 3586/4885ALOX15 1847/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885HPGD 3586/4885ALOX15 1847/4885

“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.