SCHEMBL3302006

SCHEMBL3302006

CCCCOn1cccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
LTA4H P09960 2/20 0.34
CYP1A2 P05177 3/20 0.33
CYP2C9 P11712 3/20 0.33
CYP2C19 P33261 3/20 0.33
HCAR2 Q8TDS4 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 3/20 0.32
CYP19A1 P11511 4/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL897658 0.93 HCAR2 (0.35) TDP1LTA4HHCAR2TSHRCYP3A4
SCHEMBL28122093 0.91 GBA1 (0.38) HCAR2TSHRALDH1A1CA1CA2
SCHEMBL21700389 0.91 GBA1 (0.38) HCAR2TSHRALDH1A1CA1CA2
SCHEMBL20496370 0.78 ALDH1A1 (0.47) ALDH1A1
SCHEMBL387691 0.73
SCHEMBL13071254 0.72 TDP1 (0.57) TDP1CYP1A2CYP2C9CYP2C19ATM
SCHEMBL4921128 0.67 TDP1 (0.33) TDP1ADRB2ADRB1ADRB3
SCHEMBL13071257 0.67 NOS1 (0.38) TDP1ADRB2ADRB1ADRB3CYP1A2
SCHEMBL4464058 0.67 TSHR (0.39) ADRB2ADRB1ADRB3LTA4HCYP1A2
SCHEMBL11726598 0.65 ADRB2 (0.32) ADRB2ADRB1ADRB3LTA4HCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210375501-A1 SELF-HEALING AND STRETCHABLE POLYMERIC COMPOSITIONS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2021-12-02 US claimed
US-20130177701-A1 CAPACITOR MANUFACTURING METHOD SHIN-ETSU POLYMER CO., LTD. 2013-07-11 US disclosed
US-20100098841-A1 CONDUCTIVE COMPOSITION VAND CONDUCTIVE CROSS-LINKED PRODUCT, CAPACITOR AND PRODUCTION METHOD THEREOF, AND ANTISTATIC COATING MATERIAL, ANTISTATIC COATING, ANTISTATIC FILM, OPTICAL FILTER, AND OPTICAL INFORMATION RECORDING MEDIUM SHIN-ETSU POLYMER CO., LTD. (JP) 2010-04-22 US disclosed
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
EP-0424048-A2 Electrically conductive pigmentary composites KERR-McGEE CHEMICAL CORPORATION (US) 1991-04-24 EP 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 TDP1 1385/4885ADRB2 365/4885ADRB1 441/4885

“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.