SCHEMBL16903608

SCHEMBL16903608

C=CCOC(=O)C(C)CCC=C(C)C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 4/20 0.47
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.39
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.33
HPGD P15428 1/20 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
SCHEMBL8756611 0.82 ALOX15 (0.44) ALOX15TDP1TSHRALDH1A1FNTA
SCHEMBL16897675 0.80 ALOX15 (0.51) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL25689218 0.79 ALOX15 (0.51) ALOX15TDP1TSHRALDH1A1USP2
SCHEMBL11519762 0.79 TDP1 (0.44) TDP1TSHRALDH1A1USP2HPGD
SCHEMBL17718252 0.79 TDP1 (0.44) TDP1TSHRALDH1A1USP2HPGD
SCHEMBL7781880 0.78 TDP1 (0.46) TDP1TSHRALDH1A1
SCHEMBL7781883 0.78 TDP1 (0.46) TDP1TSHRALDH1A1HPGD
SCHEMBL16897674 0.78 ALOX15 (0.53) ALOX15TSHRALDH1A1USP2GLA
SCHEMBL16488808 0.78 TDP1 (0.46) TDP1TSHRALDH1A1HPGD
SCHEMBL7191532 0.77 TDP1 (0.45) TDP1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20170275230-A1 TERPENE-DERIVED ACIDS AND ESTERS AND METHODS FOR PREPARING AND USING SAME P2 SCIENCE, INC. (US) 2017-09-28 US disclosed
US-9682914-B2 Terpene-derived acids and esters and methods for preparing and using same P2 SCIENCE, INC. (US) 2017-06-20 US disclosed
US-9682914-B2 Terpene-derived acids and esters and methods for preparing and using same P2 SCIENCE, INC. (US) 2017-06-20 US disclosed
US-20170113988-A1 TERPENE-DERIVED COMPOUNDS AND METHODS FOR PREPARING AND USING SAME P2 SCIENCE, INC. 2017-04-27 US disclosed
US-20170113988-A1 TERPENE-DERIVED COMPOUNDS AND METHODS FOR PREPARING AND USING SAME P2 SCIENCE, INC. 2017-04-27 US disclosed
US-20160332952-A1 TERPENE-DERIVED ACIDS AND ESTERS AND METHODS FOR PREPARING AND USING SAME P2 SCIENCE, INC. 2016-11-17 US 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-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 (3 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 ALOX15 56/4885TDP1 3561/4885TSHR 3593/4885
US-20170113988-A1 TERPENE-DERIVED COMPOUNDS AND METHODS FOR PREPARING AND USING SAME MSMO1, ERG28, CYP51A1 ALOX15 120/4885TDP1 3905/4885TSHR 3317/4885
US-20170275230-A1 TERPENE-DERIVED ACIDS AND ESTERS AND METHODS FOR PREPARING AND USING SAME GGPS1, CYP51A1, LSS ALOX15 56/4885TDP1 3561/4885TSHR 3593/4885

“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.