SCHEMBL1377680

SCHEMBL1377680

O=CC(=Cc1ccccc1)[n+]1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
TSHR P16473 1/20 0.48
AKR1C3 P42330 1/20 0.39
CYP2A6 P11509 1/20 0.39
LMNA P02545 2/20 0.39
AKR1C1 Q04828 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
FBP1 P09467 3/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PRMT1 Q99873 1/20 0.35
MAPK1 P28482 2/20 0.34
TRPA1 O75762 1/20 0.34
ALOX5 P09917 1/20 0.34
PAM P19021 1/20 0.34
ESR1 P03372 1/20 0.34
MCL1 Q07820 1/20 0.34

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
Hydrochloric Acid SCHEMBL10696032 0.98 ALDH1A1 (0.47) ALDH1A1TSHRAKR1C3CYP2A6LMNA
SCHEMBL9508726 0.80 ALDH1A1 (0.39) ALDH1A1TSHRAKR1C3AKR1C1FBP1
SCHEMBL8625481 0.74 TSHR (0.40) ALDH1A1TSHRAKR1C3AKR1C1FBP1
SCHEMBL11406036 0.72 ALDH1A1 (0.41) ALDH1A1TSHRAKR1C3CYP2A6LMNA
SCHEMBL4666032 0.71 MCL1 (0.40) ALDH1A1TSHRAKR1C3AKR1C1FBP1
SCHEMBL3315076 0.69 AKR1C3 (0.50) ALDH1A1TSHRAKR1C3AKR1C1TDP1
SCHEMBL6331875 0.69 ALDH1A1 (0.60) ALDH1A1TSHRAKR1C3CYP2A6LMNA
SCHEMBL155213 0.69 ALDH1A1 (0.60) ALDH1A1TSHRAKR1C3CYP2A6LMNA
SCHEMBL1759350 0.69 ALDH1A1 (0.60) ALDH1A1TSHRAKR1C3CYP2A6LMNA
SCHEMBL6331873 0.69 ALDH1A1 (0.60) ALDH1A1TSHRAKR1C3CYP2A6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100047200-A1 Cosmetic product comprising two separte compositions, one of which comprises a crosslinked polyrotaxane L'OREAL S.A. (FR) 2010-02-25 US claimed
US-20090202461-A1 Anhydrous cosmetic composition comprising a crosslinked polyrotaxane and an oil L'OREAL S.A. (FR) 2009-08-13 US claimed
EP-1893171-A1 ANHYDROUS COSMETIC COMPOSITION COMPRISING A CROSSLINKED POLYROTAXANE AND AN OIL L'OREAL (FR) 2008-03-05 EP claimed
EP-1890674-A1 COSMETIC PRODUCT COMPRISING TWO SEPARATE COMPOSITIONS, ONE OF WHICH COMPRISES A CROSSLINKED POLYROTAXANE L'Oréal (FR) 2008-02-27 EP claimed
US-20070112094-A1 Printing ink SERICOL LIMITED (GB) 2007-05-17 US claimed
WO-2006131403-A1 ANHYDROUS COSMETIC COMPOSITION COMPRISING A CROSSLINKED POLYROTAXANE AND AN OIL L'OREAL (FR) 2006-12-14 WO claimed
WO-2006131402-A1 COSMETIC PRODUCT COMPRISING TWO SEPARATE COMPOSITIONS, ONE OF WHICH COMPRISES A CROSSLINKED POLYROTAXANE L'OREAL (FR) 2006-12-14 WO claimed
EP-3597670-B1 WATER-SOLUBLE COMPOSITION, PRODUCTION METHOD FOR CURED PRODUCT THEREOF, AND CURED PRODUCT THEREOF, AND ACYL PHOSPHINATE ADEKA CORP (JP) 2024-07-10 EP disclosed
CN-111699204-B Radical polymerization initiator, composition containing the same, cured product thereof, method for producing the same, and compound 株式会社ADEKA 2023-07-21 CN disclosed
US-11649334-B2 Water-soluble composition, production method for cured product thereof, and cured product thereof, and acyl phosphinate ADEKA CORPORATION (JP) 2023-05-16 US disclosed
US-11618742-B2 Radical polymerization initiator, composition containing same, cured product of composition, production method for cured product, and compound ADEKA CORPORATION (JP) 2023-04-04 US disclosed
US-11591308-B2 2023-02-28 US disclosed
WO-2022270640-A2 POLYMER COMPOUND, COSMETIC, AND THICKENER 富士フイルム和光純薬株式会社 2022-12-29 WO disclosed
US-20040266901-A1 NOVEL PHOTOSENSITIVE COMPOUND, PHOTOSENSITIVE RESIN, AND PHOTOSENSITIVE COMPOSITION TOYO GOSEI KOGYO CO., LTD. (JP) 2004-12-30 US disclosed
EP-1349005-A1 Photosensitive compound, resin and composition Toyo Gosei Kogyo Co., Ltd. (JP) 2003-10-01 EP disclosed
EP-0878739-B1 Photosensitive compounds, photosensitive resin compositions, and pattern formation method making use of the compounds or compositions TOYO GOSEI KOGYO KK (JP) 2002-11-27 EP disclosed
WO-2000028382-A1 PHOTOSENSITIVE COMPOUNDS, PHOTOSENSITIVE RESIN COMPOSITIONS, AND PATTERN FORMATION METHOD MAKING USE OF THE COMPOUNDS OR COMPOSITIONS TOYO GOSEI KOGYO CO., LTD. (JP) 2000-05-18 WO disclosed
US-6020093-A APPLYING PHOTOSENSITIVE RESIN TO SUBSTRATE; RADIATION; DEVELOPING A PATTERN TOYO GOSEI KOGYO, LTD. (JP) 2000-02-01 US disclosed
EP-0878739-A1 Photosensitive compounds, photosensitive resin compositions, and pattern formation method making use of the compounds or compositions Toyo Gosei Kogyo Co., Ltd. (JP) 1998-11-18 EP disclosed
US-5206113-A Photocurable HOECHST AKTIENGESELLSCHAFT (DE) 1993-04-27 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 (3 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-11591308-B2 RER1, CBR1, H1-10 ALDH1A1 370/4885TSHR 4080/4885AKR1C3 536/4885
US-11618742-B2 Radical polymerization initiator, composition containing same, cured product of composition, production method for cured product, and compound ASH2L, RER1, BOLA2; BOLA2B ALDH1A1 491/4885TSHR 3790/4885AKR1C3 842/4885
US-11649334-B2 Water-soluble composition, production method for cured product thereof, and cured product thereof, and acyl phosphinate PHOSPHO1, ASS1, SGMS1 ALDH1A1 711/4885TSHR 4551/4885AKR1C3 1018/4885

“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.