SCHEMBL2774036

SCHEMBL2774036

Cc1ccc(-c2[c]c(-c3ccc(C)cc3)ccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.42
TDP1 Q9NUW8 3/20 0.42
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
ALOX12 P18054 1/20 0.36
HPGD P15428 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ENPP3 O14638 1/20 0.34
ENPP1 P22413 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL21801276 0.89 ACHE (0.39) ACHETDP1HPGDNPC1RAB9A
SCHEMBL29104461 0.88 ACHE (0.36) ACHETDP1LMNATSHRALOX12
SCHEMBL5461557 0.79 ACHE (0.42) ACHETDP1LMNAHPGDNPC1
SCHEMBL9119298 0.78 PTGS2 (0.38) LMNAHPGDSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4647857 0.75 NPC1 (0.49) ACHETDP1LMNATSHRALOX12
SCHEMBL379055 0.75 ALDH1A1 (0.47) TDP1LMNAHPGDNPC1RAB9A
SCHEMBL28150406 0.74 ALDH1A1 (0.48) TDP1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL3822120 0.74 NPC1 (0.36) ACHENPC1RAB9ACYP2C9CYP2C19
SCHEMBL598796 0.74 ACHE (0.57) ACHETDP1LMNATSHRALOX12
SCHEMBL67548 0.73 ACHE (0.38) ACHETDP1LMNATSHRALOX12

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140330018-A1 METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-11-06 US claimed
US-7642324-B2 Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts SYMYX SOLUTIONS, INC. (US) 2010-01-05 US claimed
US-7642216-B2 Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts SYMYX SOLUTIONS, INC. (US) 2010-01-05 US claimed
US-20090143222-A1 METHODS OF USING HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS SYMYX TECHNOLOGIES, INC. (US) 2009-06-04 US claimed
US-20090131619-A1 METHODS OF USING HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS SYMYX TECHNOLOGIES, INC. (US) 2009-05-21 US claimed
US-6916893-B2 Polymerization-active transition metal complexes having bulky ligand systems SER. V. GMBH (DE) 2005-07-12 US claimed
US-20040171774-A1 Polymerization-active transition metal complexes having bulky ligand systems RIEGER BERNHARD (DE) 2004-09-02 US claimed
US-20140330018-A1 METATHESIS CATALYSTS AND METHODS THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-11-06 US disclosed
US-7902374-B2 Stability OLED materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2011-03-08 US disclosed
US-7642324-B2 Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts SYMYX SOLUTIONS, INC. (US) 2010-01-05 US disclosed
US-7642216-B2 Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts SYMYX SOLUTIONS, INC. (US) 2010-01-05 US disclosed
US-20090143222-A1 METHODS OF USING HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS SYMYX TECHNOLOGIES, INC. (US) 2009-06-04 US disclosed
US-20090131619-A1 METHODS OF USING HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS SYMYX TECHNOLOGIES, INC. (US) 2009-05-21 US disclosed
EP-1794196-A2 HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS, AND METHODS OF MAKING AND USING THE SAME Symyx Technologies, Inc. (US) 2007-06-13 EP disclosed
US-20070088167-A1 Stability OLED materials and devices UNIVERSAL DISPLAY CORPORATION 2007-04-19 US disclosed
US-20060094839-A1 Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts SYMYX TECHNOLOGIES, INC. (US) 2006-05-04 US disclosed
US-20060094867-A1 Heterocycle-amine ligands, compositions, complexes, and catalysts SYMYX TECHNOLOGIES, INC. (US) 2006-05-04 US disclosed
WO-2006036748-A2 HETEROCYCLE-AMINE LIGANDS, COMPOSITIONS, COMPLEXES, AND CATALYSTS, AND METHODS OF MAKING AND USING THE SAME SYMYX TECHNOLOGIES, INC. (US) 2006-04-06 WO disclosed
US-6916893-B2 Polymerization-active transition metal complexes having bulky ligand systems SER. V. GMBH (DE) 2005-07-12 US disclosed
US-20040171774-A1 Polymerization-active transition metal complexes having bulky ligand systems RIEGER BERNHARD (DE) 2004-09-02 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 (4 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-20060094867-A1 Heterocycle-amine ligands, compositions, complexes, and catalysts PCNA, MYB, PNMT ACHE 1417/4885TDP1 408/4885LMNA 3587/4885
US-20140330018-A1 METATHESIS CATALYSTS AND METHODS THEREOF TERT, CYP19A1, MPO ACHE 15/4885TDP1 1975/4885LMNA 1361/4885
US-20060094839-A1 Methods of using heterocycle-amine ligands, compositions, complexes, and catalysts PCNA, PPOX, ODC1 ACHE 1213/4885TDP1 282/4885LMNA 3058/4885
US-20040171774-A1 Polymerization-active transition metal complexes having bulky ligand systems AP1M1, CCNC, CLTB ACHE 4396/4885TDP1 3418/4885LMNA 522/4885

“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.