SCHEMBL16897672

SCHEMBL16897672

COC(C)(C)CCCC(C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BLM P54132 1/20 0.47
GABRR1 P24046 2/20 0.43
CYP1A2 P05177 1/20 0.43
LTA4H P09960 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ACE2 Q9BYF1 1/20 0.40
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
TBXAS1 P24557 2/20 0.35
CA1 P00915 1/20 0.34
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.32
MAPK1 P28482 1/20 0.32
LTB4R Q15722 1/20 0.32

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
SCHEMBL20825478 0.94 ACE2 (0.44) BLMGABRR1CYP1A2LTA4HALDH1A1
SCHEMBL157394 0.90 GABRR1 (0.45) BLMGABRR1CYP1A2LTA4HALDH1A1
SCHEMBL2692582 0.84 ALDH1A1 (0.44) BLMALDH1A1LMNACYP3A4TDP1
SCHEMBL16897681 0.82 ALDH1A1 (0.40) ALDH1A1LMNACYP3A4TDP1ACACB
SCHEMBL11376061 0.82 ALDH1A1 (0.43) ALDH1A1LMNACYP3A4TDP1ACACB
SCHEMBL11722752 0.82 ALDH1A1 (0.43) ALDH1A1LMNACYP3A4TDP1ACACB
SCHEMBL11252155 0.81 ALDH1A1 (0.40) LTA4HALDH1A1LMNACYP3A4TDP1
SCHEMBL18774511 0.80 ALDH1A1 (0.35) ALDH1A1LMNACYP3A4TDP1
SCHEMBL16903603 0.79 ALDH1A1 (0.39) ALDH1A1LMNACYP3A4TDP1CA1
SCHEMBL20825612 0.79 BLM (0.54) BLMGABRR1CYP1A2LTA4HACE2

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015175978-A1 MACROCYCLIC COMPOUNDS, POLYMERS, AND METHODS FOR MAKING SAME P2 SCIENCE, INC. (US) 2015-11-19 WO claimed
US-10696605-B2 Uses of vanadium to oxidize aldehydes and ozonides P2 SCIENCE, INC. (US) 2020-06-30 US disclosed
US-20190225558-A1 USES OF VANADIUM TO OXIDIZE ALDEHYDES AND OZONIDES P2 SCIENCE, INC. 2019-07-25 US disclosed
US-10280131-B2 Terpene-derived acids and esters and methods for preparing and using same P2 SCIENCE, INC. (US) 2019-05-07 US disclosed
US-10071941-B2 Terpene-derived compounds and methods for preparing and using same P2 SCIENCE, INC. (US) 2018-09-11 US disclosed
WO-2018053289-A1 USES OF VANADIUM TO OXIDIZE ALDEHYDES AND OZONIDES P2 SCIENCE, INC. (US) 2018-03-22 WO disclosed
US-9783520-B2 Macrocyclic compounds, polymers, and methods for making same P2 SCIENCE, INC. (US) 2017-10-10 US disclosed
US-9783520-B2 Macrocyclic compounds, polymers, and methods for making same P2 SCIENCE, INC. (US) 2017-10-10 US disclosed
US-9783520-B2 Macrocyclic compounds, polymers, and methods for making same P2 SCIENCE, INC. (US) 2017-10-10 US disclosed
US-20170275230-A1 TERPENE-DERIVED ACIDS AND ESTERS AND METHODS FOR PREPARING AND USING SAME P2 SCIENCE, INC. (US) 2017-09-28 US disclosed
US-20170088536-A1 MACROCYCLIC COMPOUNDS, POLYMERS, AND METHODS FOR MAKING SAME P2 SCIENCE, INC. 2017-03-30 US disclosed
US-20170088536-A1 MACROCYCLIC COMPOUNDS, POLYMERS, AND METHODS FOR MAKING SAME P2 SCIENCE, INC. 2017-03-30 US disclosed
US-20170088536-A1 MACROCYCLIC COMPOUNDS, POLYMERS, AND METHODS FOR MAKING SAME P2 SCIENCE, INC. 2017-03-30 US disclosed
EP-3094615-A1 TERPENE-DERIVED ACIDS AND ESTERS AND METHODS FOR PREPARING AND USING SAME P2 Science, Inc. (US) 2016-11-23 EP disclosed
US-20160332952-A1 TERPENE-DERIVED ACIDS AND ESTERS AND METHODS FOR PREPARING AND USING SAME P2 SCIENCE, INC. 2016-11-17 US disclosed
WO-2015191706-A1 TERPENE-DERIVED COMPOUNDS AND METHODS FOR PREPARING AND USING SAME P2 SCIENCE, INC. (US) 2015-12-17 WO disclosed
WO-2015191706-A1 TERPENE-DERIVED COMPOUNDS AND METHODS FOR PREPARING AND USING SAME P2 SCIENCE, INC. (US) 2015-12-17 WO disclosed
WO-2015175978-A1 MACROCYCLIC COMPOUNDS, POLYMERS, AND METHODS FOR MAKING SAME P2 SCIENCE, INC. (US) 2015-11-19 WO disclosed
WO-2015175978-A1 MACROCYCLIC COMPOUNDS, POLYMERS, AND METHODS FOR MAKING SAME P2 SCIENCE, INC. (US) 2015-11-19 WO disclosed
WO-2015106293-A1 TERPENE-DERIVED ACIDS AND ESTERS AND METHODS FOR PREPARING AND USING SAME P2 SCIENCE, INC. (US) 2015-07-16 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 (7 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-20160332952-A1 TERPENE-DERIVED ACIDS AND ESTERS AND METHODS FOR PREPARING AND USING SAME GGPS1, CYP51A1, LSS BLM 2715/4885GABRR1 2101/4885CYP1A2 149/4885
US-10696605-B2 Uses of vanadium to oxidize aldehydes and ozonides NOX4, AOX1, ADH1C BLM 4194/4885GABRR1 4181/4885CYP1A2 241/4885
US-10280131-B2 Terpene-derived acids and esters and methods for preparing and using same GGPS1, CYP51A1, LSS BLM 2715/4885GABRR1 2101/4885CYP1A2 149/4885
US-20170275230-A1 TERPENE-DERIVED ACIDS AND ESTERS AND METHODS FOR PREPARING AND USING SAME GGPS1, CYP51A1, LSS BLM 2715/4885GABRR1 2101/4885CYP1A2 149/4885
US-20170088536-A1 MACROCYCLIC COMPOUNDS, POLYMERS, AND METHODS FOR MAKING SAME PORCN, COASY, MCCC2 BLM 199/4885GABRR1 3415/4885CYP1A2 632/4885
US-20190225558-A1 USES OF VANADIUM TO OXIDIZE ALDEHYDES AND OZONIDES NOX4, AOX1, ADH1C BLM 4194/4885GABRR1 4181/4885CYP1A2 241/4885
US-10071941-B2 Terpene-derived compounds and methods for preparing and using same MSMO1, ERG28, CYP51A1 BLM 4329/4885GABRR1 1771/4885CYP1A2 469/4885

“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.