SCHEMBL6631330

SCHEMBL6631330

COc1ccc(COCC2CO2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.49
CA1 P00915 2/20 0.47
CA9 Q16790 2/20 0.47
CA12 O43570 1/20 0.47
SIGMAR1 Q99720 1/20 0.45
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAP2K1 Q02750 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42

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
SCHEMBL16923005 0.93 DRD4 (0.46) CA2CA1CA9CA12SIGMAR1
SCHEMBL26698411 0.87 SHBG (0.56) TSHRCYP1A2CYP3A4NPC1RAB9A
SCHEMBL21023624 0.84 DRD4 (0.44) CA2TSHRHTTKDM4ECYP3A4
SCHEMBL24146971 0.81 DRD4 (0.42) TSHRHTTKDM4ENPC1RAB9A
SCHEMBL1261811 0.80 CA2 (0.55) CA2CA1CA9CA12SIGMAR1
SCHEMBL16922872 0.80 ALDH1A1 (0.41) TSHRCYP1A2CYP3A4MAPK1ALDH1A1
SCHEMBL318036 0.79 CA2 (0.68) CA2SIGMAR1ATMKDM4ECYP1A2
SCHEMBL731016 0.79 TSHR (0.48) TSHRCYP1A2CYP3A4MAPK1ALDH1A1
SCHEMBL29475007 0.79 CA2 (0.68) CA2SIGMAR1ATMKDM4ECYP1A2
SCHEMBL24161726 0.79 CYP3A4 (0.42) TSHRHTTKDM4ECYP3A4NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108017665-A A kind of preparation of L- α-choline glycerophosphatide and purification process 湖南托阳制药有限公司 2018-05-11 CN claimed
CN-1247590-C Process for synthesis of derivatives of 2,30dihydro-1,4-dioxino-[2,3-f]quinoline WYETH CORP (US) 2006-03-29 CN claimed
US-20040186123-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline WYETH 2004-09-23 US claimed
CN-1509290-A Process for synthesis of derivatives of 2,30dihydro-1,4-dioxino-[2,3-f]quinoline 2004-06-30 CN claimed
US-6693197-B2 Process for the synthesis of derivatives of 2,3-dihydro-1,4-dioxino- [2,3-f] quinoline WYETH 2004-02-17 US claimed
EP-1387845-A2 PROCESSES FOR THE SYNTHESIS OF DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-(2,3-f) QUINOLINE Wyeth (US) 2004-02-11 EP claimed
US-20020187983-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline WYETH 2002-12-12 US claimed
WO-2002092602-A2 PROCESSES FOR THE SYNTHESIS OF DERIVATIVES OF 2,3-DIHYDRO-1,4-DIOXINO-[2,3-f] QUINOLINE WYETH (US) 2002-11-21 WO 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 (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-20020187983-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline CYP1A1, CYP2F1, CYP1B1 CA2 2223/4885CA1 1999/4885CA9 2627/4885
US-20040186123-A1 Process for the synthesis of derivatives of 2, 3-dihydro-1, 4-dioxino- [2, 3-f] quinoline CYP1A1, CYP2F1, CYP1B1 CA2 2223/4885CA1 1999/4885CA9 2627/4885

“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.