SCHEMBL4720536

SCHEMBL4720536

CCCOc1cccc2c1C(c1ccccc1)[C]O2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.37
HTR2B P41595 2/20 0.37
CYP2A6 P11509 1/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MCHR1 Q99705 1/20 0.34
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
GRM5 P41594 1/20 0.33
ADRA1A P35348 1/20 0.32
HTR2A P28223 1/20 0.32
HIF1A Q16665 1/20 0.32
PDE5A O76074 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32

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
SCHEMBL4723823 0.93 CYP1A2 (0.42) HTR2BMEN1KMT2AMCHR1MAPT
SCHEMBL4723946 0.89 ALDH1A1 (0.38) HTR2CHTR2BCYP2A6MEN1KMT2A
SCHEMBL4719889 0.86 HTR2C (0.36) HTR2CHTR2BCYP2A6MEN1KMT2A
SCHEMBL4722485 0.81 HTR1B (0.41) HTR2CHTR2BTP53
SCHEMBL4720547 0.80 CYP1A2 (0.40) MCHR1CYP1A2CYP2C9CYP2C19HIF1A
SCHEMBL4722451 0.75 TP53 (0.44) L3MBTL1CYP2C9TP53
SCHEMBL4721222 0.69 HTR1B (0.40) HTR2CHTR2BTP53
1,2-Dipropoxybenzene SCHEMBL578657 0.67 CYP1A2 (0.56) HTR2CHTR2BCYP2A6MEN1KMT2A
1,2-Dipropoxybenzene SCHEMBL29428926 0.67 CYP1A2 (0.56) HTR2CHTR2BCYP2A6MEN1KMT2A
SCHEMBL9393907 0.65 MCHR1 (0.46) HTR2CHTR2BCYP2A6MEN1KMT2A

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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors PFIZER INC. 2008-07-24 US 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
WO-2006100591-A1 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-09-28 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-20080176857-A1 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors TBXA2R, P2RY4, PF4 HTR2C 215/4885HTR2B 242/4885CYP2A6 171/4885

“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.