SCHEMBL13935054

SCHEMBL13935054

CCC1(CC)c2cc(Br)ccc2-c2ccc(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.39
▸ ELANE P08246 1/20 0.39
▸ PGR P06401 1/20 0.36
▸ MAOB P27338 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ CYP2A6 P11509 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ STK10 O94804 2/20 0.33
▸ SLK Q9H2G2 2/20 0.33
▸ AGPAT2 O15120 2/20 0.32
▸ KDM1A O60341 1/20 0.31
▸ ALK Q9UM73 1/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ DRD3 P35462 2/20 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
SCHEMBL20542576 0.90 PDK2 (0.45) PDK2ELANEPGRCYP2A6KDM1A
SCHEMBL17511218 0.88 PGR (0.39) PDK2ELANEPGRMAOBMAOA
SCHEMBL29514438 0.85 PDK2 (0.41) PDK2PGRKDM1A
SCHEMBL1086094 0.85 PDK2 (0.41) PDK2PGRKDM1A
SCHEMBL27918580 0.84 PDK2 (0.33) PDK2
SCHEMBL16023952 0.83 TSHR (0.38) PDK2PGRBACE1SLC6A4DRD2
SCHEMBL16024254 0.83 TSHR (0.38) PDK2PGRBACE1SLC6A4DRD2
SCHEMBL16013671 0.83 TSHR (0.38) PDK2PGRBACE1SLC6A4DRD2
SCHEMBL15400527 0.82 PDK2 (0.42) PDK2PGRMAOBMAOABACE1
SCHEMBL30544522 0.82 PDK2 (0.42) PDK2PGRMAOBMAOABACE1

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-9818951-B2 Polycyclic compound and organic electronic device comprising the same LG CHEM, LTD. (KR) 2017-11-14 — — US disclosed
US-9818951-B2 Polycyclic compound and organic electronic device comprising the same LG CHEM, LTD. (KR) 2017-11-14 — — US disclosed
US-20160329500-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME LG CHEM LTD. (KR) 2016-11-10 — — US disclosed
US-20160329500-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME LG CHEM LTD. (KR) 2016-11-10 — — US disclosed
US-9484539-B2 Polycyclic compound and organic electronic device comprising the same LG CHEM, LTD. (KR) 2016-11-01 — — US disclosed
US-9484539-B2 Polycyclic compound and organic electronic device comprising the same LG CHEM, LTD. (KR) 2016-11-01 — — US disclosed
US-8895730-B2 Synthesis of two-photon absorbing polyhydroxy diphenylamino-dialkylfluorene-1,3,5-triazine molecules THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2014-11-25 — — US disclosed
US-8895730-B2 Synthesis of two-photon absorbing polyhydroxy diphenylamino-dialkylfluorene-1,3,5-triazine molecules THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2014-11-25 — — US disclosed
US-8895730-B2 Synthesis of two-photon absorbing polyhydroxy diphenylamino-dialkylfluorene-1,3,5-triazine molecules THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2014-11-25 — — US disclosed
US-20140151670-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2014-06-05 — — US disclosed
US-8735528-B1 Two-photon absorbing cross-linked polyurethanes containing diphenylamino-dialkylfluorene-1,3,5-triazine units THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2014-05-27 — — US disclosed
US-20140039185-A1 SYNTHESIS OF TWO-PHOTON ABSORBING POLYHYDROXY DIPHENYLAMINO-DIALKYLFLUORENE-1,3,5-TRIAZINE MOLECULES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2014-02-06 — — US disclosed
US-20140039185-A1 SYNTHESIS OF TWO-PHOTON ABSORBING POLYHYDROXY DIPHENYLAMINO-DIALKYLFLUORENE-1,3,5-TRIAZINE MOLECULES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2014-02-06 — — US disclosed
US-20140039185-A1 SYNTHESIS OF TWO-PHOTON ABSORBING POLYHYDROXY DIPHENYLAMINO-DIALKYLFLUORENE-1,3,5-TRIAZINE MOLECULES GOVERNMENT OF THE UNITED STATES AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2014-02-06 — — US disclosed
US-8580958-B1 Two-photon absorbing polyhydroxy diphenylamino-dialkylfluorene-1,3,5-triazine molecules THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2013-11-12 — — US disclosed
US-8580958-B1 Two-photon absorbing polyhydroxy diphenylamino-dialkylfluorene-1,3,5-triazine molecules THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2013-11-12 — — US disclosed
US-8580958-B1 Two-photon absorbing polyhydroxy diphenylamino-dialkylfluorene-1,3,5-triazine molecules THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2013-11-12 — — US disclosed
US-8318888-B1 Two-photon absorbing cross-linked polyurethanes containing delphenylamino-dialkyffluorene-1,3,5-triazine units THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2012-11-27 — — US disclosed
US-8318888-B1 Two-photon absorbing cross-linked polyurethanes containing delphenylamino-dialkyffluorene-1,3,5-triazine units THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2012-11-27 — — US disclosed
US-8318888-B1 Two-photon absorbing cross-linked polyurethanes containing delphenylamino-dialkyffluorene-1,3,5-triazine units THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2012-11-27 — — 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-20140039185-A1 SYNTHESIS OF TWO-PHOTON ABSORBING POLYHYDROXY DIPHENYLAMINO-DIALKYLFLUORENE-1,3,5-TRIAZINE MOLECULES PARP1, KDM5A, MTX2 PDK2 965/4885ELANE 4015/4885PGR 456/4885
US-20160329500-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME PIEZO1, EED, ETV6 PDK2 2576/4885ELANE 941/4885PGR 603/4885

“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.

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