SCHEMBL3861713

SCHEMBL3861713

CCC(c1ccccc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 1/20 0.55
LMNA P02545 3/20 0.52
TAAR1 Q96RJ0 4/20 0.48
SLC6A2 P23975 4/20 0.46
SLC6A3 Q01959 4/20 0.46
ESR1 P03372 1/20 0.46
CYP1A2 P05177 1/20 0.46
PGR P06401 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
AR P10275 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CHRM1 P11229 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
DRD1 P21728 1/20 0.46
TBXA2R P21731 1/20 0.46
PTGS1 P23219 1/20 0.46

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
Ammonia Solution, Strong SCHEMBL18191766 0.97 HKDC1 (0.53) HKDC1LMNATAAR1SLC6A2SLC6A3
SCHEMBL4071581 0.89 HKDC1 (0.65) HKDC1LMNATAAR1SLC6A2SLC6A3
SCHEMBL11206738 0.82 HKDC1 (0.53) HKDC1LMNATAAR1SLC6A2SLC6A3
SCHEMBL598978 0.82 TAAR1 (0.64) HKDC1LMNATAAR1SLC6A2SLC6A3
SCHEMBL25079595 0.81 ESR1 (0.60) HKDC1LMNASLC6A2SLC6A3ESR1
SCHEMBL8097069 0.80 HKDC1 (0.52) HKDC1LMNATAAR1SLC6A2SLC6A3
SCHEMBL4434502 0.80 HKDC1 (0.52) HKDC1LMNATAAR1SLC6A2SLC6A3
SCHEMBL8094357 0.80 HKDC1 (0.52) HKDC1LMNATAAR1SLC6A2SLC6A3
SCHEMBL22009966 0.80 HKDC1 (0.52) HKDC1LMNATAAR1SLC6A2SLC6A3
SCHEMBL10831868 0.80 HKDC1 (0.52) HKDC1LMNATAAR1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2589643-B1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME SK CHEMICALS CO LTD (KR) 2017-09-20 EP disclosed
US-9142784-B2 Highly efficient carbazole-based compound, and organic electroluminescence device comprising same SK CHEMICALS CO., LTD. (KR) 2015-09-22 US disclosed
CN-102959040-B High-efficiency carbazole-based compound and organic electroluminescent device comprising same SK CHEMICALS CO LTD 2015-05-20 CN disclosed
US-20130119367-A1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME INDUSTRY ACADEMIC COOPERATION FOUNDATION, DANKOOK UNIVERSITY (KR) 2013-05-16 US disclosed
EP-2589643-A2 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME Industry-Academic Cooperation Foundation, Dankook University (KR) 2013-05-08 EP disclosed
CN-102959040-A High-efficiency carbazole-based compound and organic electroluminescent device comprising same UNIV DANKOOK IACF 2013-03-06 CN disclosed
CN-1723224-B Flexible resorcinol linear phenolic resin and preparation method thereof INDSPEC CHEMICAL CORP 2011-07-06 CN disclosed
US-7589164-B2 Flexibilized resorcinolic novolak resins and method of making same INDSPEC CHEMICAL CORPORATION 2009-09-15 US disclosed
US-20070093596-A1 FLEXIBILIZED RESORCINOLIC NOVOLAK RESINS AND METHOD OF MAKING SAME INDSPEC CHEMICAL CORPORATION (US) 2007-04-26 US disclosed
US-7196156-B2 Flexibilized resorcinolic novolak resins and method of making same INDSPEC CHEMICAL CORPORATION (US) 2007-03-27 US disclosed
CN-1723224-A Flexible resorcinol novolak resin and process for preparing the same INDSPEC CHEMICAL CORP (US) 2006-01-18 CN disclosed
EP-1578825-A1 FLEXIBILIZED RESORCINOLIC NOVOLAK RESINS AND METHOD OF MAKING SAME INDSPEC CHEMICAL CORPORATION (US) 2005-09-28 EP disclosed
WO-2004055085-A1 FLEXIBILIZED RESORCINOLIC NOVOLAK RESINS AND METHOD OF MAKING SAME INDSPEC CHEMICAL CORPORATION (US) 2004-07-01 WO 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 (1 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-20130119367-A1 HIGHLY EFFICIENT CARBAZOLE-BASED COMPOUND, AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING SAME PPIP5K2, INPP5B, EZH2 HKDC1 3921/4885LMNA 4578/4885TAAR1 4528/4885

“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.