SCHEMBL728402

SCHEMBL728402

C=CCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 5/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 4/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
ERBB2 P04626 1/20 0.41
FYN P06241 1/20 0.41
MAOA P21397 1/20 0.41
ACHE P22303 1/20 0.41
AHR P35869 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40

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
SCHEMBL28831011 0.95 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL4338851 0.92 MEN1 (0.37) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL28830884 0.86 KDM4E (0.43) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8724008 0.83 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL28831004 0.83 KDM4E (0.41) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL8724012 0.82 CYP1A2 (0.49) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL23527394 0.81 KMT2A (0.53) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL3806791 0.81 MEN1 (0.32) KMT2AMEN1ALDH1A1KDM4EGABRA1
SCHEMBL729571 0.81 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL4488247 0.81 CYP1A2 (0.43) KMT2AMEN1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111087018-A Crude titanium tetrachloride vanadium removal composition and vanadium removal method 中国石油化工股份有限公司 2020-05-01 CN claimed
CN-107154463-B Organic electroluminescence device, oled substrate and display device 京东方科技集团股份有限公司 2019-03-15 CN claimed
CN-107154463-A Organic electroluminescence device, oled substrate and display device 京东方科技集团股份有限公司 2017-09-12 CN claimed
US-20150299437-A1 PREPARATION OF RUBBER REINFORCED WITH GRAPHENE AND CARBON NANOTUBES AND FUNCTIONALIZED ELASTOMERS AND TIRE WITH COMPONENT THE GOODYEAR TIRE & RUBBER COMPANY (US) 2015-10-22 US claimed
EP-2268314-A2 USE OF PYRENE TO CARRY PEPTIDES ACROSS THE BLOOD BRAIN BARRIER Adlyfe, Inc. (US) 2011-01-05 EP claimed
US-20090274621-A1 USE OF PYRENE TO CARRY NON-PEPTIDE AGENTS ACROSS THE BLOOD BRAIN BARRIER ADLYFE, INC 2009-11-05 US claimed
US-20090238754-A1 USE OF PYRENE TO CARRY PEPTIDES ACROSS THE BLOOD BRAIN BARRIER ADLYFE, INC. 2009-09-24 US claimed
WO-2009117042-A1 USE OF PYRENE TO CARRY NON-PEPTIDE AGENTS ACROSS THE BLOOD BRAIN BARRIER ADLYFE, INC. (US) 2009-09-24 WO claimed
WO-2009117041-A2 USE OF PYRENE TO CARRY PEPTIDES ACROSS THE BLOOD BRAIN BARRIER ADLYFE, INC. (US) 2009-09-24 WO claimed
US-6273102-B1 Method of cleaning and maintaining petroleum refining plants SOFTARD INDUSTRIES CO., LTD. (JP) 2001-08-14 US claimed
US-4912071-A Heat treatment with mixture od gas oil and aromatic hydrocarbon KASHIMA ENGINEERING CO., LTD. (JP) 1990-03-27 US claimed
US-3996170-A 6-N-Butyl alpha pyrone perfumes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-07 US claimed
WO-2025109468-A1 EMBEDDED CONTACT LENS WITH A HIGH REFRACTIVE INDEX INSERT THEREIN ALCON INC. (CH) 2025-05-30 WO disclosed
US-20250164823-A1 EMBEDDED CONTACT LENS WITH A HIGH REFRACTIVE INDEX INSERT THEREIN ALCON INC (CH) 2025-05-22 US disclosed
US-12173209-B2 Quantum dot, and ink composition, light-emitting device, optical member, and apparatus including quantum dot SAMSUNG DISPLAY CO., LTD. (KR) 2024-12-24 US disclosed
EP-4314118-A1 POLYSILOXANE VINYLIC CROSSLINKERS WITH HIGH REFRACTIVE INDEX Alcon Inc. (CH) 2024-02-07 EP disclosed
US-3996170-A 6-N-Butyl alpha pyrone perfumes INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-07 US disclosed
US-3946054-A PERFUMES, TOBACCO, FOOD FLAVORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-03-23 US disclosed
US-3946054-A PERFUMES, TOBACCO, FOOD FLAVORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-03-23 US disclosed
US-3873574-A Process for preparing substituted alpha-pyrones INT FLAVORS & FRAGRANCES INC 1975-03-25 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-20090274621-A1 USE OF PYRENE TO CARRY NON-PEPTIDE AGENTS ACROSS THE BLOOD BRAIN BARRIER FABP7, NPPA, CNDP2 KMT2A 4344/4885MEN1 1202/4885ALDH1A1 4496/4885
US-20090238754-A1 USE OF PYRENE TO CARRY PEPTIDES ACROSS THE BLOOD BRAIN BARRIER FABP7, NPPA, TAP2 KMT2A 4621/4885MEN1 1619/4885ALDH1A1 4242/4885

“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.