SCHEMBL6027803

SCHEMBL6027803

CC1(c2cccc(-c3cc(Cl)ccn3)c2)OC(=O)C(O)=C1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
PIM1 P11309 1/20 0.38
KMO O15229 2/20 0.36
CNR1 P21554 2/20 0.35
BACE1 P56817 6/20 0.34
KCNH2 Q12809 1/20 0.34
PGR P06401 2/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MAPKAPK2 P49137 1/20 0.34
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
GRM5 P41594 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7966963 0.79 KMO (0.33) HCAR3HCAR2KMOKCNH2PGR
SCHEMBL6029237 0.76 PIM1 (0.41) PIM1KMOCNR1PGRTP53
SCHEMBL6027361 0.76 HCAR2 (0.38) HCAR3HCAR2BACE1KCNH2PGR
SCHEMBL7967152 0.73 PGR (0.38) PIM1KMOCNR1PGRMAPT
SCHEMBL7968495 0.72 DHODH (0.39) HCAR3HCAR2BACE1
SCHEMBL7984729 0.71 CHRNA1 (0.39) HCAR3HCAR2PTGS2
SCHEMBL6026477 0.71 CHRNA1 (0.39) HCAR3HCAR2PTGS2
SCHEMBL7969034 0.70 ALDH1A1 (0.38) HCAR3HCAR2PGRSMN1; SMN2PTGS1
SCHEMBL6927977 0.70 ALDH1A1 (0.38) HCAR3HCAR2PGRSMN1; SMN2PTGS1
SCHEMBL7593441 0.70 ALDH1A1 (0.38) HCAR3HCAR2PGRSMN1; SMN2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7019029-B2 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2006-03-28 US disclosed
US-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives THE NORTHWESTERN MUTUAL LIFE INSURANCE COMPANY, AS ADMINISTRATIVE AGENT 2002-10-03 US disclosed
US-6265436-B1 ANTIINFLAMMATORY AGENTS OXIS THERAPEUTICS INC. 2001-07-24 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 (1 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-20020141956-A1 Skin whiteners containing hydroxytetronic acid derivatives TYR, PPP6C, CYP26A1 HCAR3 352/4885HCAR2 442/4885PIM1 4021/4885

“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.