SCHEMBL16694147

SCHEMBL16694147

[CH2]C1CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.35
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
THRB P10828 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TSHR P16473 1/20 0.31
EPHX1 P07099 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL9262111 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL866984 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL5188 1.00
SCHEMBL7589647 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL2081 1.00
SCHEMBL15121489 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL5429 1.00
SCHEMBL3030900 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL21831576 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB
SCHEMBL447244 1.00 ALDH1A1 (0.36) ALDH1A1HSD17B10CES2CES1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12010912-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-06-11 US disclosed
US-11987665-B2 Polymer and organic light emitting device comprising same LG CHEM, LTD. (KR) 2024-05-21 US disclosed
EP-4342902-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING SAME LG Chem, Ltd. (KR) 2024-03-27 EP disclosed
US-11925113-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-03-05 US disclosed
EP-4289836-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-12-13 EP disclosed
US-11807632-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2023-11-07 US disclosed
US-11807767-B2 Ink composition for organic light emitting device LG CHEM, LTD. 2023-11-07 US disclosed
EP-4270510-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-11-01 EP disclosed
EP-4270508-A1 ORGANIC LIGHT EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-11-01 EP disclosed
EP-3730488-B1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEMICAL LTD (KR) 2023-08-09 EP disclosed
US-9698358-B2 Nitrogen-containing polycyclic compound and organic electroluminescent device using the same LG CHEM, LTD. (KR) 2017-07-04 US disclosed
US-20170101517-A1 OPTICAL FILM HAVING EXCELLENT WATER RESISTANCE AND SOLVENT RESISTANCE, AND POLARIZATION PLATE COMPRISING SAME ANHUI HEMEI MATERIALS TECHNOLOGY CO., LTD. (CN) 2017-04-13 US disclosed
US-9540374-B2 Nitrogen-containing heterocyclic compounds and organic electronic device comprising the same LG CHEM, LTD. (KR) 2017-01-10 US disclosed
US-20160204359-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2016-07-14 US disclosed
US-20160155947-A1 COPOLYMER AND ORGANIC SOLAR CELL COMPRISING SAME LG CHEM, LTD. (KR) 2016-06-02 US disclosed
US-20160141518-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME LG CHEM, LTD. (KR) 2016-05-19 US disclosed
EP-3015465-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2016-05-04 EP disclosed
EP-3009463-A1 COPOLYMER AND ORGANIC SOLAR CELL COMPRISING SAME LG Chem, Ltd. (KR) 2016-04-20 EP disclosed
US-20150218163-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME LG CHEM, LTD. (KR) 2015-08-06 US disclosed
EP-2871185-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2015-05-13 EP 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 (6 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-20150218163-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND ORGANIC ELECTRONIC DEVICE COMPRISING THE SAME NES, OR10J3, NPM1 ALDH1A1 2358/4885HSD17B10 4337/4885CES2 2060/4885
US-20160204359-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME CRY1, CRY2, NR2E3 ALDH1A1 157/4885HSD17B10 2235/4885CES2 1467/4885
US-11807632-B2 Heterocyclic compound and organic light emitting device comprising the same ARNT, AHR, DRD1 ALDH1A1 73/4885HSD17B10 340/4885CES2 3372/4885
US-11925113-B2 Heterocyclic compound and organic light emitting device comprising the same C1S, SOS1, CRY1 ALDH1A1 444/4885HSD17B10 1946/4885CES2 2101/4885
US-12010912-B2 Heterocyclic compound and organic light emitting device comprising the same CRY1, CYP1A1, CYP1B1 ALDH1A1 28/4885HSD17B10 1006/4885CES2 1533/4885
US-20160141518-A1 NITROGEN-CONTAINING POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME NCL, ODC1, PNMT ALDH1A1 3323/4885HSD17B10 4332/4885CES2 2252/4885

“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.