SCHEMBL5613040

SCHEMBL5613040

CC(CCC1(CCCCCCc2nn[nH]n2)CCCC1=O)c1ccccc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYSLTR2 Q9NS75 3/20 0.34
CYSLTR1 Q9Y271 3/20 0.34
LTB4R Q15722 2/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
HTT P42858 1/20 0.34
LPAR1 Q92633 2/20 0.33
TSHR P16473 3/20 0.32
MLYCD O95822 1/20 0.31
PIN1 Q13526 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GLA P06280 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX5 P09917 1/20 0.31
ALOX15 P16050 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7946127 0.85 TSHR (0.30) TSHR
SCHEMBL5075346 0.81 PTGER4 (0.46) PTGER4L3MBTL1CYSLTR2CYSLTR1LTB4R
SCHEMBL16522419 0.58 L3MBTL1 (0.67) L3MBTL1CYSLTR2CYSLTR1MLYCDLMNA
SCHEMBL8622095 0.57 SIRT2 (0.45) ALOX5
SCHEMBL4942228 0.56 TSHR (0.63) CYSLTR2CYSLTR1HTTTSHRMEN1
SCHEMBL10804165 0.56 TSHR (0.63) CYSLTR2CYSLTR1HTTTSHRMEN1
SCHEMBL9804614 0.56 TSHR (0.63) CYSLTR2CYSLTR1HTTTSHRMEN1
SCHEMBL789269 0.56 TSHR (0.63) CYSLTR2CYSLTR1HTTTSHRMEN1
SCHEMBL984105 0.56 TSHR (0.63) CYSLTR2CYSLTR1HTTTSHRMEN1
SCHEMBL983629 0.56 TSHR (0.63) CYSLTR2CYSLTR1HTTTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7255984-B2 Combination therapy for osteoporosis PFIZER INC. (US) 2007-08-14 US disclosed
US-20010009920-A1 Estrogen agonist/antagonist and a prostaglandin or a prostaglandin agonist/antagonist KE HUA ZHU (US) 2001-07-26 US 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-20010009920-A1 Estrogen agonist/antagonist and a prostaglandin or a prostaglandin agonist/antagonist PTGER1, PTGER2, PTGER4 PTGER4 3/4885L3MBTL1 4604/4885CYSLTR2 63/4885

“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.