SCHEMBL4804654

SCHEMBL4804654

COC1=CC[CH]C(c2cccc(C)c2)=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.39
TP53 P04637 3/20 0.36
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 3/20 0.36
LMNA P02545 2/20 0.36
NISCH Q9Y2I1 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
HSD17B10 Q99714 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTR2C P28335 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
MAPK10 P53779 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL5887546 0.84 DYRK1A (0.44) ACHENISCHHTR2CMAOB
SCHEMBL6408167 0.83 MAPT (0.33) ACHETP53TSHRSMN1; SMN2HPGD
SCHEMBL4801089 0.83 NOTUM (0.40) TSHRSMN1; SMN2NPC1HTR2CMAPK10
SCHEMBL6047642 0.82 MAOB (0.42) ACHETP53TSHRHPGDLMNA
SCHEMBL4806936 0.80 ACHE (0.35) ACHENPC1RAB9AKMT2ARELA
SCHEMBL4808466 0.79 ACHE (0.38) ACHETSHRSMN1; SMN2HPGDNISCH
SCHEMBL6047600 0.72 ACHE (0.39) ACHETSHRSMN1; SMN2HPGDLMNA
SCHEMBL6900961 0.72 RAB9A (0.41) ACHETP53SMN1; SMN2HPGDNISCH
SCHEMBL4807843 0.71 MEN1 (0.33) TP53TSHRSMN1; SMN2HPGDNPC1
SCHEMBL6047605 0.71 CYP1A1 (0.44) LMNAALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed
US-7465808-B2 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-12-16 US disclosed
US-20060014817-A1 CCK-1 receptor modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2006-01-19 US disclosed
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration JANSSEN PHARMACEUTICA N.V. (BE) 2006-01-05 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 (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-20060014817-A1 CCK-1 receptor modulators CCKAR, CCKBR, GIPR ACHE 4196/4885TP53 1638/4885TSHR 164/4885
US-20060004195-A1 Alpha,beta-unsaturated esters and acids by stereoselective dehydration CCKAR, CCKBR, FFAR1 ACHE 4031/4885TP53 3211/4885TSHR 301/4885

“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.