SCHEMBL4810522

SCHEMBL4810522

COc1cccc2c1SC[C@@H]1[C@H]2Nc2ccc(F)cc2C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.38
CREBBP Q92793 1/20 0.35
BACE1 P56817 1/20 0.34
PKM P14618 1/20 0.33
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 1/20 0.32
PGR P06401 1/20 0.31
MAPT P10636 4/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HTT P42858 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR7 P34969 2/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4817855 0.87 ALDH1A1 (0.37) HSD11B1CREBBPBACE1HTR2CMAPT
SCHEMBL4598285 0.87 ALDH1A1 (0.37) HSD11B1CREBBPBACE1HTR2CMAPT
SCHEMBL4816506 0.87 HPGD (0.33) MAPTALDH1A1KDM4EHTTGAA
SCHEMBL4598623 0.87 HPGD (0.33) MAPTALDH1A1KDM4EHTTGAA
SCHEMBL4816710 0.86 KIF11 (0.36) HTR2AHTR2CHTR2B
SCHEMBL4609283 0.85 RORC (0.31) PGR
SCHEMBL4817561 0.85 RORC (0.31) PGR
SCHEMBL4556342 0.84 F2 (0.33) MAPTTP53
SCHEMBL4813240 0.84 MAPT (0.35) MAPTALDH1A1TDP1KMT2ATP53
SCHEMBL4813632 0.83 CREBBP (0.35) HSD11B1CREBBPPKMHTR2AHTR2C

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-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 US disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HSD11B1 267/4885CREBBP 247/4885BACE1 1628/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP HSD11B1 267/4885CREBBP 247/4885BACE1 1628/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP HSD11B1 267/4885CREBBP 247/4885BACE1 1628/4885

“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.