SCHEMBL29904221

SCHEMBL29904221

CC(C)(C)c1ccc(-c2cc(-c3ccccc3N)ccc2C(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.51
▸ TRPV1 Q8NER1 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ TP53 P04637 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ DGAT1 O75907 2/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ DHFR P00374 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ PLA2G1B P04054 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL1899350 0.87 S1PR1 (0.63) S1PR1TRPV1ALDH1A1HSD17B10NPC1
SCHEMBL29142401 0.80 S1PR1 (0.64) S1PR1TRPV1ALDH1A1HSD17B10NPC1
SCHEMBL11667207 0.77 TRPA1 (0.46) S1PR1ALDH1A1NPC1RAB9ATP53
SCHEMBL22567795 0.76 S1PR1 (0.48) S1PR1ALDH1A1HSD17B10NPC1RAB9A
SCHEMBL27736916 0.75 NPC1 (0.46) ALDH1A1NPC1RAB9AL3MBTL1PLA2G1B
SCHEMBL3398445 0.75 ALDH1A1 (0.52) S1PR1TRPV1ALDH1A1HSD17B10NPC1
SCHEMBL23610039 0.74 ALDH1A1 (0.50) S1PR1TRPV1ALDH1A1HSD17B10NPC1
SCHEMBL5552881 0.74 ALDH1A1 (0.48) ALDH1A1HSD17B10NPC1RAB9AL3MBTL1
Hydrazine SCHEMBL1780923 0.73 TRPA1 (0.38) ALDH1A1HSD17B10LMNASMN1; SMN2TRPA1
Ammonia Solution, Strong SCHEMBL4590379 0.73 TRPA1 (0.40) ALDH1A1HSD17B10LMNASMN1; SMN2TRPA1

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-12588354-B2 Light-emitting device including fused cyclic compound, electronic apparatus including the light-emitting device, and the fused cyclic compound SAMSUNG DISPLAY CO., LTD. (KR) 2026-03-24 — — US disclosed
US-20220278295-A1 LIGHT-EMITTING DEVICE INCLUDING FUSED CYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE FUSED CYCLIC COMPOUND SAMSUNG DISPLAY CO., LTD. (KR) 2022-09-01 — — 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 (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-12588354-B2 Light-emitting device including fused cyclic compound, electronic apparatus including the light-emitting device, and the fused cyclic compound CRY1, SCO2, RER1 S1PR1 3613/4885TRPV1 2458/4885ALDH1A1 1115/4885
US-20220278295-A1 LIGHT-EMITTING DEVICE INCLUDING FUSED CYCLIC COMPOUND, ELECTRONIC APPARATUS INCLUDING THE LIGHT-EMITTING DEVICE, AND THE FUSED CYCLIC COMPOUND CRY1, LEF1, LAGE3 S1PR1 4798/4885TRPV1 1991/4885ALDH1A1 86/4885

“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.

Send feedback