SCHEMBL3850429

SCHEMBL3850429

O=C(NC1CCCCC1)O[CH]c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.60
ALDH1A1 P00352 1/20 0.60
THRB P10828 2/20 0.54
EPHX1 P07099 5/20 0.51
FAAH O00519 2/20 0.51
EPHX2 P34913 2/20 0.50
LHCGR P22888 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49

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
SCHEMBL10089396 0.77 ALDH1A1 (0.76) RAB9AALDH1A1EPHX1FAAHLHCGR
SCHEMBL10089405 0.77 ALDH1A1 (0.76) RAB9AALDH1A1EPHX1FAAHLHCGR
SCHEMBL1532563 0.76 ALDH1A1 (1.00) RAB9AALDH1A1EPHX1FAAHLHCGR
SCHEMBL21618461 0.76 ALDH1A1 (1.00) RAB9AALDH1A1EPHX1FAAHLHCGR
SCHEMBL8393776 0.76 ALDH1A1 (1.00) RAB9AALDH1A1EPHX1FAAHLHCGR
SCHEMBL2905964 0.76 POLB (0.49) RAB9ATHRBEPHX2SMN1; SMN2POLB
Bicarbonate SCHEMBL15226094 0.74 ALDH1A1 (0.97) RAB9AALDH1A1EPHX1FAAHLHCGR
SCHEMBL5115600 0.73 ALDH1A1 (0.97) RAB9AALDH1A1EPHX1FAAHLHCGR
SCHEMBL4234112 0.73 MEN1 (0.64) RAB9AALDH1A1EPHX1FAAHEPHX2
SCHEMBL28891768 0.73 CYP1A2 (0.73) RAB9AALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US claimed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US disclosed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US disclosed
EP-1730228-B1 NANO-COMPOSITE AND METHOD THEREOF BRIDGESTONE CORP (JP) 2012-08-15 EP disclosed
US-7579398-B2 Nano-composite and compositions therefrom BRIDGESTONE CORPORATION (JP) 2009-08-25 US disclosed
US-7572855-B2 Nano-composite and compositions manufactured thereof BRIDGESTONE CORPORATION (JP) 2009-08-11 US disclosed
US-20090182087-A1 NANO-COMPOSITE AND COMPOSITIONS THEREFROM BRIDGESTONE CORPORATION (JP) 2009-07-16 US disclosed
EP-1730228-A1 NANO-COMPOSITE AND METHOD THEREOF Bridgestone Corporation (JP) 2006-12-13 EP disclosed
US-20060173115-A1 Nano-composite and compositions manufactured thereof BRIDGESTONE CORPORATION (JP) 2006-08-03 US disclosed
WO-2005095506-A1 NANO-COMPOSITE AND METHOD THEREOF BRIDGESTONE CORPORATION (JP) 2005-10-13 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-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 RAB9A 2995/4885ALDH1A1 2399/4885THRB 412/4885

“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.