SCHEMBL23918549

SCHEMBL23918549

CC(C)c1ccc(/C=C/c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.64
PTGS1 P23219 1/20 0.63
PTGS2 P35354 1/20 0.63
KDM4E B2RXH2 2/20 0.61
MAPK1 P28482 2/20 0.61
SMN1; SMN2 Q16637 5/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 4/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
NFE2L2 Q16236 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
POLB P06746 2/20 0.50
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
GRIN2D O15399 2/20 0.47

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
SCHEMBL30075786 1.00 TYR (0.64) TYRPTGS1PTGS2KDM4EMAPK1
SCHEMBL6546884 0.90 PTGS1 (0.60) TYRPTGS1PTGS2KDM4EMAPK1
SCHEMBL6546345 0.90 KDM4E (0.59) TYRPTGS1PTGS2KDM4EMAPK1
SCHEMBL24246237 0.90 PTGS1 (0.60) TYRPTGS1PTGS2KDM4EMAPK1
SCHEMBL16105804 0.90 KDM4E (0.59) TYRPTGS1PTGS2KDM4EMAPK1
SCHEMBL16105702 0.90 KDM4E (0.59) TYRPTGS1PTGS2KDM4EMAPK1
SCHEMBL18130078 0.88 PTGS1 (0.63) TYRPTGS1PTGS2KDM4EMAPK1
SCHEMBL18130079 0.88 PTGS1 (0.63) TYRPTGS1PTGS2KDM4EMAPK1
SCHEMBL18589839 0.88 NFE2L2 (0.58) TYRPTGS1PTGS2KDM4EMAPK1
SCHEMBL9405638 0.87 TYR (0.56) TYRPTGS1PTGS2KDM4EMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS Tokyo Chemical Industry Co., Ltd. (JP) 2021-10-14 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-20210319957-A1 NOVEL COMPOUND, AND COMPOSITION FOR FORMING HOLE TRANSPORTING LAYER FOR PEROVSKITE SOLAR CELLS SLC43A1, SLC26A3, KCNT1 TYR 8/4885PTGS1 4530/4885PTGS2 4003/4885

“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.