SCHEMBL6027776

SCHEMBL6027776

Cc1cc(O)c(C)c(Br)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 7/20 0.41
KDM4E B2RXH2 5/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 7/20 0.39
HPGD P15428 5/20 0.39
RECQL P46063 2/20 0.39
CYP3A4 P08684 4/20 0.39
ALOX12 P18054 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL2471296 0.82 ACHE (0.43) CA1CA2ACHEMAPTKDM4E
SCHEMBL11214731 0.82 PTPN1 (0.46) CA1CA2MAPTKDM4EMEN1
SCHEMBL3123767 0.80 PTPN1 (0.44) CA1CA2ACHEMAPTKDM4E
SCHEMBL86951 0.80 CA1 (0.42) CA1CA2ACHEMAPTKDM4E
SCHEMBL21757390 0.80 ACHE (0.42) CA1CA2ACHEMAPTKDM4E
SCHEMBL2051242 0.80 CA1 (0.42) CA1CA2MAPTKDM4EMEN1
SCHEMBL21883741 0.78 ACHE (0.50) CA1CA2ACHEMAPTKDM4E
SCHEMBL4950394 0.78 MAPT (0.36) CA1CA2ACHEMAPTKDM4E
SCHEMBL658795 0.77 ACHE (0.43) CA1CA2ACHEMAPTKDM4E
SCHEMBL24803322 0.76 ALDH1A1 (0.50) ACHEMAPTKDM4ELMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038067-B2 Process for synthesizing d-tocotrienols from 2-vinylchromane compound YASOO HEALTH, INC. (US) 2006-05-02 US claimed
US-20050124688-A1 Process for synthesizing d-tocotrienols from 2-vinylchromane compound YASOO HEALTH, INC. 2005-06-09 US claimed
US-20050124687-A1 Process for synthesizing d-tocotrienols COULADOUROS ELIAS A (GR) 2005-06-09 US claimed
WO-2005035491-A2 PROCESS FOR SYNTHESIZING d-TOCOTRIENOLS FROM 2- VINYLCHROMANE COMPOUND YASOO HEALTH, INC. (US) 2005-04-21 WO claimed
WO-2005035490-A2 PROCESS FOR SYNTHESIZING d-TOCOTRIENOLS YASOO HEALTH, INC. (US) 2005-04-21 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-20050124688-A1 Process for synthesizing d-tocotrienols from 2-vinylchromane compound FDFT1, DHCR7, DDT CA1 3703/4885CA2 4376/4885ACHE 3541/4885
US-20050124687-A1 Process for synthesizing d-tocotrienols UGT8, DDOST, GGPS1 CA1 4581/4885CA2 4668/4885ACHE 4526/4885

“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.