SCHEMBL6571616

SCHEMBL6571616

C=C[C@H](COS(=O)(=O)c1ccc(C)cc1)Oc1ccccc1/C=C\C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.37
HTT P42858 1/20 0.35
CYP24A1 Q07973 2/20 0.35
DHODH Q02127 1/20 0.35
VDR P11473 1/20 0.34
GAA P10253 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
C5AR1 P21730 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL6571623 1.00 LMNA (0.40) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL6571617 1.00 LMNA (0.40) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL6571620 1.00 LMNA (0.40) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL4621534 0.80 DHODH (0.33) CYP24A1DHODHVDR
SCHEMBL4621538 0.80 DHODH (0.33) CYP24A1DHODHVDR
SCHEMBL4621532 0.80 DHODH (0.33) CYP24A1DHODHVDR
SCHEMBL10767335 0.80 HTT (0.42) LMNAMAPK1MEN1KMT2AALDH1A1
SCHEMBL4622571 0.78 DHODH (0.34) DHODHVDR
SCHEMBL4622568 0.78 DHODH (0.34) DHODHVDR
SCHEMBL4622563 0.78 DHODH (0.34) DHODHVDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432694-A1 STEREOSPECIFIC PROCESS FOR THE SYNTHESIS OF 2-YL CHROMAN DERIVATIVES Wyeth (US) 2004-06-30 EP disclosed
US-6716998-B2 SUCH AS (2R)-3,4-DIHYDRO-2H-CHROMEN-2-YL-METHYL-4-METHYL-BENZENESULFONATE; METATHESIS RING CLOSING POLYMERIZATION WYETH 2004-04-06 US disclosed
US-6667322-B2 Useful for treatment of diseases such as obsessive compulsive disorder, panic attacks, anxiety, sexual dysfunction, eating disorders, obesity, addictive disorders WYETH 2003-12-23 US disclosed
US-20030100774-A1 Process for synthesis of 2-yl chroman derivatives WYETH (US) 2003-05-29 US disclosed
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole WYETH 2003-05-29 US disclosed
WO-2003031439-A1 ANTIDEPRESSANT CHROMAN AND CHROMENE DERIVATIVES OF 3-(1,2,3,6-TETRAHYDRO-4-PYRIDINYL)-1H-INDOLE WYETH (US) 2003-04-17 WO disclosed
WO-2003031428-A1 STEREOSPECIFIC PROCESS FOR THE SYNTHESIS OF 2-YL CHROMAN DERIVATIVES WYETH (US) 2003-04-17 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-20030100774-A1 Process for synthesis of 2-yl chroman derivatives CDYL, CDY1; CDY1B, CDYL2 LMNA 1602/4885MAPK1 1010/4885MEN1 655/4885
US-20030100579-A1 Antidepressant chroman and chromene derivatives of 3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole TPH1, HTR1D, HTR1A LMNA 3052/4885MAPK1 786/4885MEN1 2482/4885

“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.