SCHEMBL3727430

SCHEMBL3727430

c1cc2ccc3cccc4[nH]c(c1)c2c34

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
HSD17B10 Q99714 5/20 0.56
TSHR P16473 4/20 0.56
HPGD P15428 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP1A1 P04798 1/20 0.56
CYP1B1 Q16678 1/20 0.56
THRB P10828 1/20 0.43
IMPDH2 P12268 1/20 0.43
IMPDH1 P20839 1/20 0.43
CA1 P00915 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA12 O43570 1/20 0.42
CA3 P07451 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA13 Q8N1Q1 1/20 0.42

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
SCHEMBL29671006 1.00 ALDH1A1 (0.56) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL11921496 0.85 ALDH1A1 (0.46) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL22824979 0.81 ALDH1A1 (0.59) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL16284893 0.81 NPSR1 (0.42) ALDH1A1HSD17B10TSHRHPGDCYP3A4
Pyrene SCHEMBL2127931 0.79 ALDH1A1 (0.67) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL1273519 0.79 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL31568010 0.79 ALDH1A1 (0.61) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL15712171 0.79 CDK4 (0.38) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL16863535 0.78 CDK4 (0.43) ALDH1A1HSD17B10TSHRHPGDCYP3A4
SCHEMBL19204721 0.78 CA12 (0.44) ALDH1A1HSD17B10TSHRHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11925111-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2024-03-05 US claimed
US-20240074307-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-29 US claimed
US-20220029102-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2022-01-27 US claimed
US-11145819-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-12 US claimed
CN-108264515-B Benzo [ def ] carbazole compounds and preparation method and application thereof 中国科学院上海药物研究所 2021-01-12 CN claimed
US-20200321531-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-10-08 US claimed
US-10734586-B2 Organic light emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2020-08-04 US claimed
EP-2960204-B1 HYDROGEN STORAGE BY REVERSIBLE HYDROGENATION OF PI-CONJUGATED SUBSTRATES AIR PROD & CHEM (US) 2018-06-13 EP claimed
US-20170288147-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-10-05 US claimed
EP-2960204-A1 HYDROGEN STORAGE BY REVERSIBLE HYDROGENATION OF PI-CONJUGATED SUBSTRATES AIR PRODUCTS AND CHEMICALS, INC. (US) 2015-12-30 EP claimed
US-7429372-B2 catalytically saturating polycyclic aromatic hydrocarbons for storage, then dehydrogenation with catalyst to release hydrogen; supplying hydrogen to fuel cells AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-09-30 US claimed
US-7351395-B1 Catalytically saturating polycyclic aromatic hydrocarbons for storage, then dehydrogenation with catalyst to release hydrogen; supplying hydrogen to fuel cells AIR PRODUCTS AND CHEMICALS, INC. (US) 2008-04-01 US claimed
EP-1660404-A2 HYDROGEN STORAGE REVERSIBLE HYDROGENATED OF PI-CONJUGATED SUBSTRATES AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-05-31 EP claimed
US-20050013767-A1 dispenser for dispensing first liquid and retrieving second liquid comprising first conduit for dispensing first liquid and second conduit for retrieving second liquid in direction countercurrent to first liquid; for hydrogen storage liquids comprising partially hydrogenated pi-conjugated substrates AIR PRODUCTS AND CHEMICALS, INC. 2005-01-20 US claimed
US-20050002857-A1 catalytically saturating polycyclic aromatic hydrocarbons for storage, then dehydrogenation with catalyst to release hydrogen; supplying hydrogen to fuel cells ENERGY, UNITED STATES DEPARTMENT OF 2005-01-06 US claimed
WO-2005000457-A2 HYDROGEN STORAGE REVERSIBLE HYDROGENATED OF PI-CONJUGATED SUBSTRATES AIR PRODUCTS AND CHEMICALS, INC. (US) 2005-01-06 WO claimed
EP-4519383-B1 CYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2026-01-14 EP disclosed
US-20250353807-A1 ORGANIC LIGHT EMITTING DEVICE SAMSUNG DISPLAY CO LTD (KR) 2025-11-20 US disclosed
US-20050002857-A1 catalytically saturating polycyclic aromatic hydrocarbons for storage, then dehydrogenation with catalyst to release hydrogen; supplying hydrogen to fuel cells ENERGY, UNITED STATES DEPARTMENT OF 2005-01-06 US disclosed
US-4626342-A QUINONE AND AMMONIUM, ALKALI METAL OR ALKALINE EARTH METAL AS CATALYST AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-12-02 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 (8 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-20250353807-A1 ORGANIC LIGHT EMITTING DEVICE SUN2, CYBA, SLC25A21 ALDH1A1 464/4885HSD17B10 944/4885TSHR 4378/4885
US-20170288147-A1 ORGANIC LIGHT EMITTING DEVICE SUN2, CYBA, SLC25A21 ALDH1A1 464/4885HSD17B10 944/4885TSHR 4378/4885
US-11145819-B2 Organic light emitting device SUN2, CYBA, SLC25A21 ALDH1A1 464/4885HSD17B10 944/4885TSHR 4378/4885
US-20200321531-A1 ORGANIC LIGHT EMITTING DEVICE SUN2, CYBA, SLC25A21 ALDH1A1 464/4885HSD17B10 944/4885TSHR 4378/4885
US-20240074307-A1 ORGANIC LIGHT EMITTING DEVICE SUN2, CYBA, SLC25A21 ALDH1A1 464/4885HSD17B10 944/4885TSHR 4378/4885
US-11925111-B2 Organic light emitting device SUN2, CYBA, SLC25A21 ALDH1A1 464/4885HSD17B10 944/4885TSHR 4378/4885
US-20220029102-A1 ORGANIC LIGHT EMITTING DEVICE SUN2, CYBA, SLC25A21 ALDH1A1 464/4885HSD17B10 944/4885TSHR 4378/4885
US-10734586-B2 Organic light emitting device SUN2, CYBA, SLC25A21 ALDH1A1 464/4885HSD17B10 944/4885TSHR 4378/4885

“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.