SCHEMBL9905548

SCHEMBL9905548

CCCCCN1[C]N(CCCCC)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
MGLL Q99685 2/20 0.37
FAAH O00519 1/20 0.37
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
NPC1 O15118 6/20 0.34
RAB9A P51151 6/20 0.34
HTT P42858 5/20 0.34
LMNA P02545 3/20 0.34
APOBEC3A P31941 2/20 0.34
APOBEC3G Q9HC16 2/20 0.34
TBXAS1 P24557 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PABPC1 P11940 1/20 0.34
DNM1 Q05193 3/20 0.33
GALR3 O60755 2/20 0.33
POLB P06746 2/20 0.33
ATM Q13315 2/20 0.33
MAPK1 P28482 2/20 0.33

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
SCHEMBL3876682 0.86 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL3878294 0.86 PTGS1 (0.36) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL16341438 0.84 TSHR (0.34) TSHRALDH1A1
SCHEMBL665724 0.80
SCHEMBL6682002 0.73
SCHEMBL18838747 0.69 NPC1 (0.44) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL4270831 0.67 TSHR (0.47) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL4270037 0.67 TSHR (0.47) PTGS1PTGS2MGLLFAAHTSHR
SCHEMBL4274617 0.67 TSHR (0.47) PTGS1PTGS2MGLLFAAHTSHR
Hexane SCHEMBL8705498 0.61 TSHR (0.88) TSHRTHRBLMNAALDH1A1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120208959-A1 METHOD FOR PRODUCING AN AQUEOUS POLYMER DISPERSION BASF SE (DE) 2012-08-16 US claimed
US-20120149840-A1 PROCESS FOR PRODUCING AN AQUEOUS POLYMER DISPERSION Univ. of Southern Mississippi Res. Foundation (US) 2012-06-14 US claimed
US-10421703-B2 Ruthenium-phenol catalysts for transfer hydrogenation reactions BASF SE (DE) 2019-09-24 US disclosed
EP-3113879-B1 RUTHENIUM-PHENOL CATALYSTS FOR TRANSFER HYDROGENATION REACTIONS BASF SE (DE) 2018-04-18 EP disclosed
US-20180037530-A1 RUTHENIUM-PHENOL CATALYSTS FOR TRANSFER HYDROGENATION REACTIONS BASF SE (DE) 2018-02-08 US disclosed
US-9790157-B2 Ruthenium-phenol catalysts and method of preparing menthone from isopulegol BASF SE (REITSTÖTTER, KINZEBACH & PARTNER) (DE) 2017-10-17 US disclosed
US-20170066704-A1 RUTHENIUM-PHENOL CATALYSTS AND METHOD OF PREPARING MENTHONE FROM ISOPULEGOL BASF SE (DE) 2017-03-09 US disclosed
US-20120208959-A1 METHOD FOR PRODUCING AN AQUEOUS POLYMER DISPERSION BASF SE (DE) 2012-08-16 US disclosed
US-20120149840-A1 PROCESS FOR PRODUCING AN AQUEOUS POLYMER DISPERSION Univ. of Southern Mississippi Res. Foundation (US) 2012-06-14 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 (4 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-20170066704-A1 RUTHENIUM-PHENOL CATALYSTS AND METHOD OF PREPARING MENTHONE FROM ISOPULEGOL HPD, MDH2, PIN4 PTGS1 665/4885PTGS2 540/4885MGLL 240/4885
US-20120149840-A1 PROCESS FOR PRODUCING AN AQUEOUS POLYMER DISPERSION PUF60, PARG, ACMSD PTGS1 1472/4885PTGS2 1223/4885MGLL 2128/4885
US-20180037530-A1 RUTHENIUM-PHENOL CATALYSTS FOR TRANSFER HYDROGENATION REACTIONS HPD, ICMT, MDH2 PTGS1 527/4885PTGS2 420/4885MGLL 337/4885
US-10421703-B2 Ruthenium-phenol catalysts for transfer hydrogenation reactions HPD, ICMT, MDH2 PTGS1 527/4885PTGS2 420/4885MGLL 337/4885

“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.