SCHEMBL4355468

SCHEMBL4355468

c1ccc2c(-c3ccc4c(c3)CCCC4)c3ccccc3c(-c3ccc4c(c3)CCCC4)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
TSHR P16473 1/20 0.48
KIF11 P52732 2/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ADCY8 P40145 1/20 0.38

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
SCHEMBL1102512 0.85 CYP11B1 (0.56) CYP11B1CYP11B2TSHRKIF11MEN1
SCHEMBL1102875 0.84 CYP11B1 (0.48) CYP11B1CYP11B2TSHRKIF11MEN1
SCHEMBL22028062 0.82 ADRA2A (0.38) CYP11B1CYP11B2MEN1KMT2ASMN1; SMN2
SCHEMBL30997743 0.82 ADRA2A (0.38) CYP11B1CYP11B2MEN1KMT2ASMN1; SMN2
SCHEMBL12156777 0.82 ALDH1A1 (0.47) KIF11SMN1; SMN2MAPTALDH1A1HPGD
SCHEMBL1103278 0.81 CYP11B1 (0.41) CYP11B1CYP11B2TSHRKIF11MEN1
SCHEMBL18671377 0.80 KIF11 (0.41) TSHRKIF11MEN1KMT2ASMN1; SMN2
SCHEMBL28663639 0.79 CYP11B1 (0.61) CYP11B1CYP11B2TSHRMEN1KMT2A
SCHEMBL21117972 0.78 ALOX5 (0.36) CYP11B1CYP11B2TSHRKIF11MEN1
SCHEMBL9845507 0.78 CYP11B1 (0.61) CYP11B1CYP11B2TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9893292-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2018-02-13 US disclosed
US-20140203215-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2014-07-24 US disclosed
US-8679645-B2 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2014-03-25 US disclosed
US-20090128009-A1 Materials for organic electroluminescence devices MERCK PATENT GMBH (DE) 2009-05-21 US disclosed
EP-1888707-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES Merck Patent GmbH (DE) 2008-02-20 EP disclosed
WO-2006131192-A1 NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2006-12-14 WO disclosed
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed
JP-2005008600-A 9,10-BIS(5,6,7,8-TETRAHYDRO-2-NAPHTHYL)ANTHRACENE COMPOUND, METHOD FOR PRODUCING THE SAME AND ORGANIC ELECTROLUMINESCENT ELEMENT SONY CORP 2005-01-13 JP disclosed
JP-2005008600-A 9,10-BIS(5,6,7,8-TETRAHYDRO-2-NAPHTHYL)ANTHRACENE COMPOUND, METHOD FOR PRODUCING THE SAME AND ORGANIC ELECTROLUMINESCENT ELEMENT SONY CORP 2005-01-13 JP 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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 CYP11B1 4077/4885CYP11B2 4488/4885TSHR 4004/4885
US-20090128009-A1 Materials for organic electroluminescence devices OR10J3, TYR, EML4 CYP11B1 3241/4885CYP11B2 2552/4885TSHR 4695/4885

“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.