SCHEMBL4723992

SCHEMBL4723992

c1ccc2cc3c([C]4CC4)cccc3cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.41
HSD17B10 Q99714 7/20 0.41
HIF1A Q16665 4/20 0.41
MAPK1 P28482 4/20 0.41
HPGD P15428 4/20 0.41
TSHR P16473 3/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CYP1B1 Q16678 1/20 0.39
CES1 P23141 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 4/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL29109616 0.98 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1AMAPK1HPGD
SCHEMBL4722083 0.92 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1AMAPK1HPGD
SCHEMBL4723098 0.92 ALDH1A1 (0.39) ALDH1A1HSD17B10HIF1AMAPK1HPGD
SCHEMBL29109596 0.90 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1AMAPK1HPGD
SCHEMBL29110070 0.90 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1AMAPK1HPGD
SCHEMBL4721549 0.90 ALDH1A1 (0.38) ALDH1A1HSD17B10HIF1AMAPK1HPGD
SCHEMBL29109615 0.88 ALDH1A1 (0.37) ALDH1A1HSD17B10HIF1AMAPK1HPGD
SCHEMBL2871930 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1AMAPK1HPGD
SCHEMBL29354014 0.84 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1AMAPK1HPGD
SCHEMBL29538643 0.81 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1AMAPK1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024962-A Cage type toughening agent and preparation method thereof, high-temperature-resistant low-loss adhesive film and preparation method thereof 黑龙江省科学院石油化学研究院 2023-11-10 CN claimed
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PFIZER INC. 2008-08-21 US disclosed
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC 2008-08-14 US disclosed
US-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US disclosed
EP-1896483-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-03-12 EP disclosed
EP-1874780-A1 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2008-01-09 EP 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
EP-1866317-A1 4-PIPERAZINOTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-12-19 EP disclosed
EP-1844052-A1 THIENO[2,3-D]PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION Pharmacia & Upjohn Company LLC (US) 2007-10-17 EP disclosed
WO-2006103544-A2 4-PIPERAZINYLTHIENO [2, 3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO 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
WO-2006103545-A1 4-PIPERAZINYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-10-05 WO disclosed
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 WO disclosed
WO-2006079916-A1 THIENO [2,3-D] PYRIMIDINE COMPOUNDS AS INHIBITORS OF ADP-MEDIATED PLATELETS AGGREGATION PHARMACIA & UPJOHN COMPANY LLC (US) 2006-08-03 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 (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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 ALDH1A1 622/4885HSD17B10 4259/4885HIF1A 3146/4885
US-20080194590-A1 4-Piperazinylthieno [2,3-D] Pyrimidine Compounds as Platelet Aggregation Inhibitors PFKP, PF4, P2RY4 ALDH1A1 1204/4885HSD17B10 4732/4885HIF1A 2903/4885
US-20080200475-A1 4-Piperazinothieno[2,3-D] Pyrimidine Compounds As Platelet Aggregation Inhibitors PF4, TBXA2R, P2RY4 ALDH1A1 849/4885HSD17B10 4777/4885HIF1A 2798/4885

“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.