SCHEMBL5397303

SCHEMBL5397303

c1ccc(Pc2cccc3ccccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 6/20 0.42
TSHR P16473 4/20 0.42
CYP2A6 P11509 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 5/20 0.39
HPGD P15428 4/20 0.39
CYP3A4 P08684 3/20 0.39
KEAP1 Q14145 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
HPRT1 P00492 1/20 0.39
CDC25B P30305 2/20 0.38
ATM Q13315 2/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
HIF1A Q16665 2/20 0.36
CYP1B1 Q16678 1/20 0.36
THRB P10828 1/20 0.36

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
Water SCHEMBL7645615 0.98 ALDH1A1 (0.40) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL30066582 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL939704 0.85 ALDH1A1 (0.50) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL5401678 0.84 CYP2A6 (0.43) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL3809505 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL184339 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10TSHRCYP2A6TDP1
Hydrochloric Acid SCHEMBL28717387 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL5183148 0.83 ALDH1A1 (0.48) ALDH1A1HSD17B10TSHRCYP2A6TDP1
SCHEMBL3680748 0.81 ALDH1A1 (0.39) ALDH1A1HSD17B10TSHRTDP1CYP1A2
SCHEMBL30307011 0.79 DHFR (0.37) ALDH1A1HSD17B10TSHRCYP2A6TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744598-B1 ORGANIC ELECTROLUMINESCENT ELEMENT AND MANUFACTURING METHOD THEREOF, ORGANIC COMPOUND CONTAINING PHOSPHORUS AND MANUFACTURING METHOD THEREOF KYUSHU ELECTRIC POWER (JP) 2017-05-31 EP claimed
WO-2021146391-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C–P BONDS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-22 WO disclosed
US-20210206788-A1 IONIC METAL ALKYLIDENE COMPOUNDS AND USE THEREOF IN OLEFINIC METATHESIS REACTIONS VERBIO SE (DE) 2021-07-08 US disclosed
EP-3802555-A1 IONIC METAL ALKYLIDENE COMPOUNDS AND USE THEREOF IN OLEFINIC METATHESIS REACTIONS Verbio Vereinigte BioEnergie AG (DE) 2021-04-14 EP disclosed
EP-3452488-A1 P-CHIRAL PHOSPHINE LIGANDS AND USE THEREOF FOR ASYMMETRIC SYNTHESIS BASF SE (DE) 2019-03-13 EP disclosed
EP-3053984-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG CHEMICAL LTD (KR) 2018-10-31 EP disclosed
CN-104974822-B A kind of preparation method of anti-pressure and abrasion-proof lubricant 鲁克(中国)润滑油有限公司 2018-01-30 CN disclosed
EP-3053984-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING SAME LG Chem, Ltd. (KR) 2016-08-10 EP disclosed
CN-103502315-A Composition and polymer ASAHI KASEI CHEMICALS CORP 2014-01-08 CN disclosed
CN-100549092-C Flame retardant epoxy prepregs, laminates, and printed wiring boards with enhanced thermal stability ALBEMARLE CORP (US) 2009-10-14 CN disclosed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
EP-1670860-B1 FLAME RETARDANT EPOXY PREPREGS, LAMINATES, AND PRINTED WIRING BOARDS OF ENHANCED THERMAL STABILITY ALBEMARLE CORP (US) 2007-04-04 EP disclosed
CN-1906202-A Method for asymmetric synthesis BASF AG (DE) 2007-01-31 CN disclosed
CN-1871300-A Flame retardant epoxy prepregs, laminates, and printed wiring boards of enhanced thermal stability ALBEMARLE CORP (US) 2006-11-29 CN disclosed
EP-1670860-A1 FLAME RETARDANT EPOXY PREPREGS, LAMINATES, AND PRINTED WIRING BOARDS OF ENHANCED THERMAL STABILITY ALBEMARLE CORPORATION (US) 2006-06-21 EP disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 US disclosed
WO-2005040277-A1 FLAME RETARDANT EPOXY PREPREGS, LAMINATES, AND PRINTED WIRING BOARDS OF ENHANCED THERMAL STABILITY ALBEMARLE CORPORATION (US) 2005-05-06 WO disclosed
US-20050075024-A1 Flame retardant epoxy prepregs, laminates, and printed wiring boards of enhanced thermal stability ALBEMARLE CORPORATION 2005-04-07 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-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 ALDH1A1 4248/4885HSD17B10 3454/4885TSHR 2600/4885
US-20210206788-A1 IONIC METAL ALKYLIDENE COMPOUNDS AND USE THEREOF IN OLEFINIC METATHESIS REACTIONS NOX5, AOC2, AOC3 ALDH1A1 566/4885HSD17B10 3134/4885TSHR 341/4885

“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.