SCHEMBL23913535

SCHEMBL23913535

CC(C)(C)c1cc(Br)cc(S(C)(c2ccccc2)c2cc(Br)cc(C(C)(C)C)c2)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
MMP2 P08253 1/20 0.32
KIF11 P52732 1/20 0.30

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
SCHEMBL23914032 0.84 ALDH1A1 (0.33) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL23913702 0.77 ALDH1A1 (0.39) ALDH1A1MMP2
SCHEMBL18636110 0.75 ALDH1A1 (0.48) ALDH1A1NPC1RECQLRAB9A
SCHEMBL16543447 0.75 ALDH1A1 (0.48) ALDH1A1NPC1RECQLRAB9A
SCHEMBL19259906 0.74 LOX (0.43) ALDH1A1MEN1POLBKMT2ANPSR1
SCHEMBL23914033 0.74 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL26036614 0.71 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ANPSR1MMP2
SCHEMBL19274316 0.71 RXRB (0.46) ALDH1A1MEN1KMT2AKIF11
SCHEMBL846677 0.70 GABRA1 (0.46) ALDH1A1MEN1POLBKMT2ARECQL
SCHEMBL190968 0.70 GABRA1 (0.52) ALDH1A1MEN1POLBKMT2ARECQL

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-20210317147-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME LG CHEM, LTD. (KR) 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-20210317147-A1 POLYCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME CYP1A1, CRY1, CYP1B1 ALDH1A1 23/4885MEN1 215/4885POLB 1449/4885

“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.