SCHEMBL12424912

SCHEMBL12424912

OB(O)c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4ccccc4)cc3)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.78
MGLL Q99685 3/20 0.78
CA2 P00918 3/20 0.78
ENPP2 Q13822 3/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA5A P35218 1/20 0.54
CA7 P43166 1/20 0.54
CA14 Q9ULX7 1/20 0.54
CA5B Q9Y2D0 1/20 0.54
TRPV1 Q8NER1 3/20 0.50
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2754556 1.00 CA1 (0.78) CA1MGLLCA2ENPP2CA4
SCHEMBL29746430 1.00 CA1 (0.78) CA1MGLLCA2ENPP2CA4
SCHEMBL19733203 0.98 CA1 (0.75) CA1MGLLCA2ENPP2CA4
SCHEMBL4002624 0.98 CA1 (0.75) CA1MGLLCA2ENPP2CA4
SCHEMBL20515843 0.98 CA1 (0.75) CA1MGLLCA2ENPP2CA4
SCHEMBL19733197 0.98 CA1 (0.75) CA1MGLLCA2ENPP2CA4
SCHEMBL12424910 0.98 CA1 (0.75) CA1MGLLCA2ENPP2CA4
SCHEMBL19733154 0.98 CA1 (0.75) CA1MGLLCA2ENPP2CA4
SCHEMBL19733188 0.96 CA2 (0.71) CA1MGLLCA2ENPP2CA4
SCHEMBL17731991 0.96 CA2 (0.71) CA1MGLLCA2ENPP2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022050533-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2022-03-10 WO disclosed
US-11208368-B2 Double-spiro type compound and organic light-emitting device containing same LG CHEM, LTD. (KR) 2021-12-28 US disclosed
CN-109111461-B Novel compound and application thereof in electroluminescent device 北京鼎材科技有限公司 2021-09-10 CN disclosed
US-20190345082-A1 DOUBLE-SPIRO TYPE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2019-11-14 US disclosed
US-20180002256-A1 DOUBLE-SPIRO TYPE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-01-04 US disclosed
EP-3260438-A1 DOUBLE-SPIRO TYPE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME LG Chem, Ltd. (KR) 2017-12-27 EP disclosed
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 US disclosed
US-9028977-B2 Compound, method for preparing same and organic electronic device using same LG CHEM, LTD. (KR) 2015-05-12 US disclosed
WO-2012115394-A2 COMPOUND, ORGANIC ELECTRONIC DEVICE USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산하이메탈(주) (KR) 2012-08-30 WO disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 US disclosed
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME LG CHEM, LTD. (KR) 2011-07-14 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 (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-11208368-B2 Double-spiro type compound and organic light-emitting device containing same NR2E3, CRY1, CRY2 CA1 3758/4885MGLL 2770/4885CA2 3290/4885
US-20190345082-A1 DOUBLE-SPIRO TYPE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME NR2E3, CRY1, CRY2 CA1 3758/4885MGLL 2770/4885CA2 3290/4885
US-20180002256-A1 DOUBLE-SPIRO TYPE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING SAME NR2E3, CRY1, CRY2 CA1 3758/4885MGLL 2770/4885CA2 3290/4885
US-20110168992-A1 NOVEL COMPOUND, METHOD FOR PREPARING SAME AND ORGANIC ELECTRONIC DEVICE USING SAME OR10J3, USE1, NOTUM CA1 4266/4885MGLL 2568/4885CA2 3850/4885

“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.