SCHEMBL146099

SCHEMBL146099

C=C([C]=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.43
CES2 O00748 4/20 0.43
ALDH1A1 P00352 3/20 0.43
TSHR P16473 2/20 0.43
DAO P14920 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
AKT1 P31749 1/20 0.41
MAPT P10636 4/20 0.40
TDP1 Q9NUW8 4/20 0.40
LMNA P02545 3/20 0.40
CYP3A4 P08684 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HSD17B10 Q99714 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 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
SCHEMBL2909086 0.86 MAPT (0.35) TSHRMAPTHSD17B10HTT
SCHEMBL4176133 0.82 TDP1 (0.41) CES1CES2TDP1CA2HSD17B10
SCHEMBL11223783 0.80 CES1 (0.40) CES1CES2ALDH1A1TSHRDAO
SCHEMBL9119892 0.78 MAPT (0.42) CES1CES2ALDH1A1TSHRDAO
SCHEMBL535862 0.78 CES1 (0.48) CES1CES2ALDH1A1TSHRDAO
SCHEMBL9554891 0.75 CES2 (0.48) CES1CES2ALDH1A1TSHRMAPT
SCHEMBL334045 0.75 NAPRT (0.46) ALDH1A1NAPRTLMNACYP3A4SMN1; SMN2
SCHEMBL8466980 0.75 AKT1 (0.43) CES1CES2ALDH1A1TSHRDAO
SCHEMBL330617 0.74 ALDH1A1 (0.42) CES1CES2ALDH1A1TSHRDAO
SCHEMBL6865935 0.74 MAOA (0.41) CES1CES2ALDH1A1TSHRDAO

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 1250 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117886839-A Organic semiconductor luminescent compound and application thereof 冠能光电材料(深圳)有限责任公司 2024-04-16 CN claimed
US-11827786-B2 Resin composition and article made therefrom ELITE ELECTRONIC MATERIAL (KUNSHAN) CO., LTD. (CN) 2023-11-28 US claimed
US-20230151213-A1 RESIN COMPOSITION AND ARTICLE MADE THEREFROM ELITE ELECTRONIC MATERIAL (KUNSHAN) CO., LTD. (CN) 2023-05-18 US claimed
CN-115433203-A Amine fluorinated curcumenol derivative compound and application and preparation method thereof 华东理工大学 2022-12-06 CN claimed
CN-114773237-A Novel phenylpropenyl hydroximic acid derivatives containing sulfonate structure, and preparation method and application thereof 南京大学 2022-07-22 CN claimed
EP-3268375-B1 PHOTOCHROMIC THIENOCHROMENE COMPOUNDS TRANSITIONS OPTICAL INC (US) 2022-06-15 EP claimed
EP-3071576-B9 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-12-22 EP claimed
EP-3645540-B1 SILOLE AND GERMOLE FUSED RING PHOTOCHROMIC COMPOUNDS TRANSITIONS OPTICAL LTD (IE) 2021-11-03 EP claimed
CN-113387831-A Amide compound and application thereof in preparation of neuroinflammation inhibitor 苏州大学 2021-09-14 CN claimed
EP-3071576-B1 PHOTOCHROMIC INDENO-FUSED RING PYRAN COMPOUNDS TRANSITIONS OPTICAL INC (US) 2021-08-18 EP claimed
US-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors AXYS PHARMACEUTICALS, INC. 2004-01-22 US claimed
US-6492362-B1 Compounds and compositions as cathepsin S inhibitors AXYS PHARMACEUTICALS, INC. 2002-12-10 US claimed
CN-1082993-C Optically active smectic photo-cross-linkable liquid crystals ROLIC AG (CH) 2002-04-17 CN claimed
WO-2001019808-A1 CHEMICAL COMPOUNDS AND COMPOSITIONS AND THEIR USE AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
CN-1126748-A Optically active smectic photo-cross-linkable liquid crystals HOFFMANN LA ROCHE (CH) 1996-07-17 CN claimed
US-5250498-A Applying to weeds BAYER AKTIENGESELLSCHAFT (DE) 1993-10-05 US claimed
EP-0432600-A2 Derivatives of 2-iminopyridine BAYER AG (DE) 1991-06-19 EP claimed
US-4981847-A Tricyclic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-01-01 US claimed
US-4578469-A COUMARIN DYES HOECHST AKTIENGESELLSCHAFT (DE) 1986-03-25 US claimed
US-4433152-A ANTIINFLAMMATORY AGENT, ANTIALLERGEN OR ANTICOAGULANT NIPPON CHEMIPHAR CO., LTD. (JP) 1984-02-21 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20040014796-A1 Novel compounds and compositions as cathepsin S inhititors CTSS, CTSB, CTSE CES1 279/4885CES2 480/4885ALDH1A1 4044/4885

“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.