SCHEMBL20099323

SCHEMBL20099323

CCCCC1(CCCC)c2cc(C)ccc2-c2ccc(C)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CRHBP P24387 1/20 0.40
CYP2C19 P33261 1/20 0.40
CRHR2 Q13324 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDK2 Q15119 1/20 0.38
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL26050718 0.93 CNR1 (0.40) SMN1; SMN2MEN1HTTKMT2ACYP3A4
SCHEMBL19442933 0.93 CNR1 (0.40) SMN1; SMN2MEN1HTTKMT2ACYP3A4
SCHEMBL20046033 0.86 ALDH1A1 (0.38) SMN1; SMN2MEN1HTTKMT2ACYP3A4
SCHEMBL12628205 0.86 SMN1; SMN2 (0.35) SMN1; SMN2MEN1HTTKMT2ACYP3A4
SCHEMBL23021642 0.85 PDK2 (0.44) SMN1; SMN2MEN1HTTKMT2ACYP3A4
SCHEMBL13558614 0.85 CNR1 (0.36) SMN1; SMN2MEN1HTTKMT2ACYP3A4
SCHEMBL13892122 0.84 CNR1 (0.36) SMN1; SMN2MEN1HTTKMT2ACYP3A4
SCHEMBL16407235 0.84 CNR1 (0.36) SMN1; SMN2MEN1HTTKMT2ACYP3A4
SCHEMBL21527512 0.84 CNR1 (0.36) SMN1; SMN2MEN1HTTKMT2ACYP3A4
SCHEMBL12958239 0.84 CNR1 (0.36) SMN1; SMN2MEN1HTTKMT2ACYP3A4

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-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2023-06-13 US disclosed
US-20210376247-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2021-12-02 US disclosed
US-9960360-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2018-05-01 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-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPS17, RPS19, CDK17 SMN1; SMN2 3088/4885MEN1 3396/4885HTT 1694/4885
US-20210376247-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE RPS17, RPS19, CDK17 SMN1; SMN2 3088/4885MEN1 3396/4885HTT 1694/4885

“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.