SCHEMBL4531307

SCHEMBL4531307

CC(=O)OC=CC=COC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
GAA P10253 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31

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
SCHEMBL4531306 1.00 ALDH1A1 (0.39) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL4536563 0.89 ALDH1A1 (0.38) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL27538005 0.89
SCHEMBL11101894 0.89
SCHEMBL11113621 0.89 ALDH1A1 (0.33) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL27675394 0.87
SCHEMBL28468659 0.87
SCHEMBL515761 0.86 ALDH1A1 (0.44) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL515760 0.86 ALDH1A1 (0.44) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL15034490 0.86 ALDH1A1 (0.44) ALDH1A1TSHRLMNAHSD17B10CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-12-17 US claimed
EP-1758583-A2 ARYLPIPERAZINE DERIVATIVES USEFUL AS ADRENERGIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-03-07 EP claimed
WO-2006092710-A1 METABOLITES OF 2-{3-[4-(2-ISOPROPOXYPHENYL) PIPERAZIN-1-YL]-PROPYL}-3A,4,7,7A-TETRAHYDRO-1H-ISOINDOLE-1,3-(2H)-DIONE RANBAXY LABORATORIES LIMITED (IN) 2006-09-08 WO claimed
WO-2005118537-A2 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2005-12-15 WO claimed
EP-0122763-B1 BLEACH COMPOSITIONS Interox Chemicals Limited (GB) 1987-06-16 EP claimed
EP-0092932-B1 HYDROGEN PEROXIDE COMPOSITIONS Interox Chemicals Limited (GB) 1986-05-28 EP claimed
US-4545784-A LOW-TEMPERATURE ACTIVATED BLEACHES; LAUNDERING; ANTISEPTICS; STORAGE STABILITY INTEROX CHEMICALS LIMITED (GB) 1985-10-08 US claimed
EP-0122763-A2 Bleach compositions Interox Chemicals Limited (GB) 1984-10-24 EP claimed
EP-3997082-B1 PROCESS FOR THE SYNTHESIS OF NON-RACEMIC CYCLOHEXENES BASF CORP (US) 2026-04-15 EP disclosed
CN-114174245-B Synthesis method of non-racemized cyclohexene 巴斯夫公司 2024-05-10 CN disclosed
US-11926589-B2 Process for the synthesis of non-racemic cyclohexenes BASF CORPORATION (US) 2024-03-12 US disclosed
US-20220267247-A1 PROCESS FOR THE SYNTHESIS OF NON-RACEMIC CYCLOHEXENES BASF CORPORATION 2022-08-25 US disclosed
EP-3997082-A1 PROCESS FOR THE SYNTHESIS OF NON-RACEMIC CYCLOHEXENES BASF CORPORATION (US) 2022-05-18 EP disclosed
CN-114174245-A Synthetic method of non-racemic cyclohexene 巴斯夫公司 2022-03-11 CN disclosed
EP-0092932-A1 Hydrogen peroxide compositions Interox Chemicals Limited (GB) 1983-11-02 EP disclosed
EP-0078922-A1 Process for the preparation of vitamins K3 and K4 and of their derivatives BASF Aktiengesellschaft (DE) 1983-05-18 EP disclosed
US-4176190-A Diuretic and saliuretic sulphamoylbenzoic acids CIBA-GEIGY CORPORATION (US) 1979-11-27 US disclosed
US-4042707-A ANALGESICS, NARCOTIC ANTAGONISTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-08-16 US disclosed
US-4016283-A ADRENERGIC BLOCKING AGENTS CIBA-GEIGY CORPORATION (US) 1977-04-05 US disclosed
US-3984436-A BLOCKERS OF ADRENERGIC B-RECEPTORS CIBA-GEIGY CORPORATION (US) 1976-10-05 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-20220267247-A1 PROCESS FOR THE SYNTHESIS OF NON-RACEMIC CYCLOHEXENES RPS10, ERAL1, DNER ALDH1A1 3875/4885TSHR 24/4885LMNA 1675/4885
US-11926589-B2 Process for the synthesis of non-racemic cyclohexenes RPS10, ERAL1, DNER ALDH1A1 3875/4885TSHR 24/4885LMNA 1675/4885
US-20090312344-A1 ARYLPIPERAZINE DERIVATIVES AS ADRENERGIC RECEPTOR ANTAGONISTS ADRA1D, ADRB1, ADRA1A ALDH1A1 50/4885TSHR 486/4885LMNA 2733/4885

“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.