SCHEMBL4844580

SCHEMBL4844580

CCCCCCCc1[c]cc[c]c1CCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.40
ESR1 P03372 2/20 0.40
ADRA2A P08913 2/20 0.40
ADORA3 P0DMS8 2/20 0.40
TACR2 P21452 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
CYP3A4 P08684 2/20 0.40
ACHE P22303 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
SHBG P04278 1/20 0.40
TP53 P04637 1/20 0.40
HSPD1 P10809 1/20 0.40
ADRB3 P13945 1/20 0.40
HTR2C P28335 1/20 0.40
HSPE1 P61604 1/20 0.40

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
SCHEMBL4849661 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4844673 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4846904 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4847847 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4849582 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4851680 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4847880 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4846766 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4851247 1.00 PTGS2 (0.40) PTGS2ESR1ADRA2AADORA3TACR2
SCHEMBL4841045 0.97 PTGS2 (0.38) PTGS2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449542-B2 Polymers XEROX CORPORATION (US) 2008-11-11 US claimed
US-20070093641-A1 POLYMERS XEROX CORPORATION 2007-04-26 US claimed
US-7049629-B2 Semiconductor polymers and devices thereof XEROX CORPORATION (US) 2006-05-23 US claimed
US-20050043504-A1 thienylene-arylene polymers used for microelectronics such as thin film transistors XEROX CORPORATION 2005-02-24 US claimed
US-20050040394-A1 Semiconductor polymers and devices thereof XEROX CORPORATION. 2005-02-24 US claimed

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-20050040394-A1 Semiconductor polymers and devices thereof TERB1, SMARCC2, TERT PTGS2 3830/4885ESR1 378/4885ADRA2A 2149/4885

“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.