SCHEMBL19743211

SCHEMBL19743211

CC(C)(C)c1ccc(-c2ccc(S(C)(C)C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.52
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.44
LMNA P02545 3/20 0.42
TYR P14679 1/20 0.42
XDH P47989 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
GAA P10253 1/20 0.40
HSD11B1 P28845 1/20 0.40
HSD17B2 P37059 1/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL19743180 0.93 ALDH1A1 (0.56) KIF11ALDH1A1TSHRLMNATYR
SCHEMBL12632467 0.82 ALDH1A1 (0.57) KIF11ALDH1A1TSHRLMNANPC1
SCHEMBL3423876 0.82 KIF11 (0.70) KIF11ALDH1A1TSHRLMNATYR
SCHEMBL26915 0.82 KIF11 (0.70) KIF11ALDH1A1TSHRLMNATYR
SCHEMBL18590517 0.80 ALDH1A1 (0.47) ALDH1A1MAPTMEN1CYP1A2CYP3A4
SCHEMBL15383714 0.79 ALDH1A1 (0.59) KIF11ALDH1A1TSHRLMNANPC1
SCHEMBL1931781 0.79 KIF11 (0.67) KIF11ALDH1A1TSHRLMNATYR
SCHEMBL12404911 0.77 ALDH1A1 (0.56) KIF11ALDH1A1TSHRLMNATYR
SCHEMBL18783136 0.77 ALDH1A1 (0.56) KIF11ALDH1A1TSHRLMNATYR
SCHEMBL17897408 0.76 ALDH1A1 (0.55) KIF11ALDH1A1TSHRLMNANPC1

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-9960357-B2 Spiro-type compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2018-05-01 US disclosed
US-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2017-12-21 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-20170365787-A1 SPIRO-TYPE COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME CRY1, NR2E3, LEF1 KIF11 1106/4885ALDH1A1 8/4885TSHR 3399/4885

“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.