SCHEMBL4894978

SCHEMBL4894978

I[CH]CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
ALOX12 P18054 1/20 0.55
CASP1 P29466 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GPR52 Q9Y2T5 4/20 0.48
KEAP1 Q14145 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP2A6 P11509 1/20 0.46
HTR2A P28223 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43

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
SCHEMBL4896504 0.85 HDAC3 (0.50) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4897366 0.83 MAOA (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4896631 0.81 MAPT (0.53) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL8103204 0.80 GPR52 (0.55) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL8103201 0.80 GPR52 (0.55) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL4892662 0.79 ALDH1A1 (0.55) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL205556 0.78 ALDH1A1 (0.52) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7762166 0.78 GPR52 (0.57) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7762164 0.78 GPR52 (0.57) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL9715286 0.78 GPR52 (0.57) ALDH1A1HPGDALOX15ALOX12CASP1

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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
EP-1869051-A1 4-PIPERAZINYLTHIENO Ý2,3-D¨PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-26 EP disclosed
WO-2006103545-A1 4-PIPERAZINYLTHIENO [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-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 ALDH1A1 1204/4885HPGD 1749/4885ALOX15 3326/4885

“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.