SCHEMBL2616617

SCHEMBL2616617

C/C(C=O)=C/C=C/C=C(/C)C=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS1 P23219 1/20 0.40
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NR1I2 O75469 1/20 0.30
LMNA P02545 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL15483041 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL1679735 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL1679732 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL11576798 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL2631743 1.00 ALDH1A1 (0.42) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL12976498 0.91
SCHEMBL2919091 0.91 TSHR (0.37) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL6649326 0.91 TSHR (0.37) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL2616645 0.88 ALDH1A1 (0.58) ALDH1A1TSHRTDP1ALOX15RECQL
SCHEMBL5074195 0.88 ALDH1A1 (0.58) ALDH1A1TSHRTDP1ALOX15RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9950067-B2 Trans carotenoids, their synthesis, formulation and uses Diffusion Pharmaceuticals, LLC (US) 2018-04-24 US disclosed
US-20170202798-A1 BIPOLAR TRANS CARTENOID SALTS AND THEIR USES DIFFUSION PHARMACEUTICALS LLC (US) 2017-07-20 US disclosed
US-20170202798-A1 BIPOLAR TRANS CARTENOID SALTS AND THEIR USES DIFFUSION PHARMACEUTICALS LLC (US) 2017-07-20 US disclosed
US-9604899-B2 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2017-03-28 US disclosed
US-9604899-B2 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2017-03-28 US disclosed
US-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES Diffusion Pharmaceuticals, LLC 2016-07-14 US disclosed
US-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES Diffusion Pharmaceuticals, LLC 2016-07-14 US disclosed
US-20140051759-A1 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES DIFFUSION PHARMACEUTICALS LLC (US) 2014-02-20 US disclosed
US-20140051759-A1 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES DIFFUSION PHARMACEUTICALS LLC (US) 2014-02-20 US disclosed
US-8269027-B2 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2012-09-18 US disclosed
US-7759506-B2 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2010-07-20 US disclosed
US-7759506-B2 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2010-07-20 US disclosed
US-20100137436-A1 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2010-06-03 US disclosed
US-20100137436-A1 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2010-06-03 US disclosed
US-7351844-B2 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2008-04-01 US disclosed
US-7351844-B2 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2008-04-01 US disclosed
US-20070203353-A1 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2007-08-30 US disclosed
US-20070203353-A1 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2007-08-30 US disclosed
US-20070161610-A1 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2007-07-12 US disclosed
US-20070161610-A1 Bipolar trans carotenoid salts and their uses DIFFUSION PHARMACEUTICALS LLC (US) 2007-07-12 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 (6 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-20160199490-A1 TRANS CAROTENOIDS, THEIR SYNTHESIS, FORMULATION AND USES TTPA, RBP4, TXNRD2 ALDH1A1 3045/4885TSHR 2140/4885TDP1 4025/4885
US-20140051759-A1 BIPOLAR TRANS CAROTENOID SALTS AND THEIR USES RBP4, MB, SLC6A12 ALDH1A1 3199/4885TSHR 1232/4885TDP1 2317/4885
US-20070203353-A1 Bipolar trans carotenoid salts and their uses RBP4, MB, SLC6A12 ALDH1A1 3199/4885TSHR 1232/4885TDP1 2317/4885
US-20100137436-A1 Bipolar trans carotenoid salts and their uses RBP4, MB, SLC6A12 ALDH1A1 3199/4885TSHR 1232/4885TDP1 2317/4885
US-20070161610-A1 Bipolar trans carotenoid salts and their uses RBP4, MB, SLC6A12 ALDH1A1 3199/4885TSHR 1232/4885TDP1 2317/4885
US-20170202798-A1 BIPOLAR TRANS CARTENOID SALTS AND THEIR USES TXNRD2, CYP11B2, CYP11B1 ALDH1A1 2608/4885TSHR 1403/4885TDP1 3458/4885

“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.