SCHEMBL2293786

SCHEMBL2293786

CCOC(=O)CCc1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.72
CYP4A11 Q02928 2/20 0.72
CYP4Z1 Q86W10 3/20 0.56
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPK1 P28482 2/20 0.50
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
S1PR4 O95977 1/20 0.50
LMNA P02545 1/20 0.50
S1PR1 P21453 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
IDO1 P14902 1/20 0.48
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
CYP4F11 Q9HBI6 1/20 0.47

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
Benzene SCHEMBL29172594 0.97 CYP4F2 (0.68) CYP4F2CYP4A11CYP4Z1MAPTKMT2A
SCHEMBL18011670 0.92 CYP4F2 (0.62) CYP4F2CYP4A11CYP4Z1MAPTKMT2A
SCHEMBL68902 0.91 CYP4F2 (0.85) CYP4F2CYP4A11CYP4Z1MAPTTDP1
SCHEMBL2291044 0.90 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1MAPTKMT2A
Trifluoroacetic Acid SCHEMBL27484103 0.89 CYP4F2 (0.59) CYP4F2CYP4A11CYP4Z1MAPTKMT2A
SCHEMBL6781618 0.86 CYP4F2 (0.72) CYP4F2CYP4A11CYP4Z1MAPTALDH1A1
SCHEMBL4887611 0.86 CYP4F2 (0.72) CYP4F2CYP4A11CYP4Z1MAPTALDH1A1
SCHEMBL10206072 0.85 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1MAPTTDP1
SCHEMBL363982 0.85 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1MAPTALDH1A1
SCHEMBL879130 0.85 CYP4F2 (0.77) CYP4F2CYP4A11CYP4Z1MAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113980117-B Fenpyroximate antigen and preparation method and application thereof 西南大学 2024-07-12 CN claimed
CN-117820460-A Methoxypiperidine ethyl antigen and preparation method and application thereof 西南大学 2024-04-05 CN claimed
CN-116425739-A Compound for tumor targeted imaging and photodynamic therapy and synthesis method and application thereof 浙江义氪生物科技有限公司 2023-07-14 CN claimed
US-12398089-B2 Method for preparing organic carboxylic ester by using combined catalyst of aryl bidentate phosphine ligand NANJING CHENGZHI CLEAN ENERGY CO. LTD. (CN) 2025-08-26 US disclosed
US-20250115561-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2025-04-10 US disclosed
EP-4469441-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS Parion Sciences, Inc. (US) 2024-12-04 EP disclosed
CN-118955244-A Method for preparing primary alcohol by homogeneously catalyzing and reducing carboxylic acid derivative by using N-heterocyclic carbene copper complex 延安大学 2024-11-15 CN disclosed
CN-116425739-B Compound for tumor targeted imaging and photodynamic therapy and synthesis method and application thereof 浙江义氪生物科技有限公司 2024-08-20 CN disclosed
CN-113980117-B Fenpyroximate antigen and preparation method and application thereof 西南大学 2024-07-12 CN disclosed
CN-118063326-A Method for promoting nickel catalysis to synthesize arylamine compound by red light 陕西师范大学 2024-05-24 CN disclosed
CN-117820460-A Methoxypiperidine ethyl antigen and preparation method and application thereof 西南大学 2024-04-05 CN disclosed
EP-0636127-B1 Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN INC (US) 2001-04-04 EP disclosed
US-6090826-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN SALES, INC. (US) 2000-07-18 US disclosed
US-5750693-A THIOCHROMANYL OR CHROMANYL COMPOUNDS AS ANTICARCINOGINIC AGENTS, SKIN DISORDERS AND ATHEROSCLEROSIS ALLERGAN (US) 1998-05-12 US disclosed
US-5677451-A CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1997-10-14 US disclosed
US-5663347-A REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION; TREATMENT OF SKIN DISORDERS; ANTICARCINOGNIC AGENTS ALLERGAN (US) 1997-09-02 US disclosed
US-5468879-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN, INC. (US) 1995-11-21 US disclosed
EP-0636127-A1 DISUBSTITUTED ACETYLENES BEARING HETEROBICYCLIC GROUPS AND HETEROAROMATIC OR PHENYL GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC. (US) 1995-02-01 EP disclosed
US-5264578-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN, INC. (US) 1993-11-23 US disclosed
WO-1993016068-A1 DISUBSTITUTED ACETYLENES BEARING HETEROBICYCLIC GROUPS AND HETEROAROMATIC OR PHENYL GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC. (US) 1993-08-19 WO 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-20250115561-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS CFTR, SCNN1B, SCNN1G CYP4F2 2130/4885CYP4A11 767/4885CYP4Z1 2494/4885
US-12398089-B2 Method for preparing organic carboxylic ester by using combined catalyst of aryl bidentate phosphine ligand POF1B, ADH1C, OSBP CYP4F2 57/4885CYP4A11 53/4885CYP4Z1 952/4885

“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.