SCHEMBL25601944

SCHEMBL25601944

C/C=C/c1cc(C(C)(C)C)ccn1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.34
KIF11 P52732 2/20 0.34
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NOS2 P35228 1/20 0.32
GAK O14976 1/20 0.31
RIPK2 O43353 1/20 0.31
COQ8A Q8NI60 1/20 0.31
NLK Q9UBE8 1/20 0.31
FGFR2 P21802 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL18867058 1.00 APLNR (0.34) APLNRKIF11ALDH1A1HPGDALOX15
SCHEMBL22096856 0.78 KIF11 (0.35) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL34460166 0.78 MAPT (0.36) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL80327 0.78 MAPT (0.36) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL80051 0.78 HDAC8 (0.37) KIF11ALDH1A1HPGDALOX15HSD17B10
SCHEMBL3778856 0.78 CYP26B1 (0.42) HPGDALOX15HSD17B10TDP1NPC1
SCHEMBL12263919 0.75 LMNA (0.30)
SCHEMBL12501399 0.74 CCNC (0.36) HPGDALOX15HSD17B10TDP1NPC1
SCHEMBL23917887 0.74 UHRF1 (0.48) APLNRALDH1A1HPGDNOS2MEN1
SCHEMBL25520641 0.73 ESR1 (0.33) APLNRNOS2

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-20240023427-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2024-01-18 US disclosed
US-20230172047-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2023-06-01 US disclosed
US-20230172046-A1 ORGANIC LIGHT EMITTING DIODE AND ORGANIC LIGHT EMITTING DEVICE HAVING THEREOF LG DISPLAY CO., LTD. (KR) 2023-06-01 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-20240023427-A1 ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CCNL2, AHR, ARNT APLNR 4084/4885KIF11 2917/4885ALDH1A1 405/4885

“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.