SCHEMBL4918940

SCHEMBL4918940

CCC[CH]OC(C)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
TAAR1 Q96RJ0 4/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TRPA1 O75762 3/20 0.36
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
LTB4R Q15722 5/20 0.35
LTB4R2 Q9NPC1 5/20 0.35
FFAR1 O14842 1/20 0.34
ADRA2A P08913 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
SCHEMBL4924896 0.84 HCAR2 (0.41) HCAR2TAAR1LMNATRPA1LTB4R
SCHEMBL4922171 0.79 LMNA (0.39) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL4912269 0.79 AOC3 (0.39) CYP1A2CYP3A4CYP2D6CYP2C19LMNA
SCHEMBL14801981 0.78 HCAR2 (0.40) HCAR2TAAR1LMNATRPA1LTB4R
SCHEMBL4916209 0.73 HCAR2 (0.44) HCAR2CYP2D6TAAR1LMNATSHR
SCHEMBL96936 0.71 HCAR2 (0.47) HCAR2CYP2D6TAAR1LMNAKMT2A
SCHEMBL291361 0.71 HCAR2 (0.43) HCAR2CYP2D6CYP2C19TAAR1LMNA
SCHEMBL8105843 0.71 HCAR2 (0.43) HCAR2CYP2D6CYP2C19TAAR1LMNA
SCHEMBL13195347 0.71 HCAR2 (0.47) HCAR2CYP2D6TAAR1LMNAKMT2A
SCHEMBL11923788 0.71 HCAR2 (0.47) HCAR2CYP2D6TAAR1LMNAKMT2A

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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
WO-2006103555-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 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 (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-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 HCAR2 2451/4885CYP1A2 578/4885CYP3A4 325/4885

“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.