SCHEMBL17863531

SCHEMBL17863531

CC1(C)c2c(ccc3cc(Br)ccc23)-c2c1c1ccc(Br)cc1c1ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RXFP1 Q9HBX9 2/20 0.40
CYP2A6 P11509 1/20 0.35
SIRT2 Q8IXJ6 3/20 0.33
PTGES O14684 2/20 0.33
SOS1 Q07889 1/20 0.32
NCEH1 Q6PIU2 2/20 0.32
CYP1A2 P05177 2/20 0.31
ERBB2 P04626 1/20 0.31
FYN P06241 1/20 0.31
MAOA P21397 1/20 0.31
ACHE P22303 1/20 0.31
AHR P35869 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 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
SCHEMBL15450043 0.82 PDK2 (0.34) MEN1KMT2ARXFP1PTGES
SCHEMBL17863536 0.82 CYP2A6 (0.37) MEN1KMT2ARXFP1CYP2A6SIRT2
SCHEMBL3753314 0.81 NCEH1 (0.40) MEN1KMT2ARXFP1CYP2A6SIRT2
SCHEMBL3750426 0.80 CYP2D6 (0.35) MEN1KMT2ARXFP1CYP2A6SIRT2
SCHEMBL22656921 0.79 PDK2 (0.34) MEN1KMT2ARXFP1PTGESCYP1A2
SCHEMBL17863029 0.77 SOS1 (0.32) SOS1
SCHEMBL19660710 0.77 PDK2 (0.36) PTGESALDH1A1
SCHEMBL17863469 0.76 SOS1 (0.31) SOS1
SCHEMBL17862965 0.75 HSD17B1 (0.41) SIRT2CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL17862948 0.75 L3MBTL1 (0.34) MEN1KMT2ARXFP1CYP1A2AHR

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-10396288-B2 Organic electroluminescent element and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2019-08-27 US disclosed
US-20160181543-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 US disclosed
US-20160181543-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-23 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-10396288-B2 Organic electroluminescent element and electronic device RER1, LEF1, ELP1 MEN1 2446/4885KMT2A 1935/4885RXFP1 588/4885
US-20160181543-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE RER1, LEF1, RPL18 MEN1 2490/4885KMT2A 1947/4885RXFP1 585/4885

“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.