SCHEMBL16736618

SCHEMBL16736618

CCc1ccc(C(C)CC)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
TRPA1 O75762 3/20 0.55
RORC P51449 1/20 0.47
ALOX15 P16050 4/20 0.41
ALOX12 P18054 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
ESR1 P03372 2/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 2/20 0.41
RECQL P46063 2/20 0.41
KMT2A Q03164 2/20 0.41
HIF1A Q16665 2/20 0.41
USP2 O75604 2/20 0.41
LMNA P02545 2/20 0.41
CHRM1 P11229 2/20 0.41

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
SCHEMBL16736785 0.85 TSHR (0.53) TSHRTRPA1RORCALOX15ALOX12
SCHEMBL51468 0.84 TRPA1 (0.59) TRPA1ALOX15ALOX12ALDH1A1HPGD
SCHEMBL4610099 0.84 TRPA1 (0.59) TRPA1ALOX15ALOX12ALDH1A1HPGD
SCHEMBL28662759 0.82 TRPA1 (0.57) TRPA1ALOX15ALOX12ALDH1A1HPGD
SCHEMBL16736578 0.82 NPC1 (0.53) TSHRRORCALOX15ALDH1A1HPGD
SCHEMBL1104213 0.80 TSHR (0.61) TSHRRORCALOX15ALDH1A1HPGD
SCHEMBL29492442 0.80 TSHR (0.61) TSHRRORCALOX15ALDH1A1HPGD
SCHEMBL3399797 0.78 GAA (0.59) TSHRTRPA1RORCALOX15ALDH1A1
SCHEMBL29663703 0.78 GAA (0.59) TSHRTRPA1RORCALOX15ALDH1A1
SCHEMBL30893081 0.78 LMNA (0.64) TSHRTRPA1RORCALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US claimed
WO-2016190871-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. (US) 2016-12-01 WO claimed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US claimed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2017-06-22 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-9630896-B2 2,5-dialkyl-4-H/halo/ether-phenol compounds TANSNA THERAPEUTICS, INC. (US) 2017-04-25 US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 US disclosed
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS TANSNA THERAPEUTICS, INC. 2015-05-28 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 (2 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-20170174600-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR TSHR 535/4885TRPA1 1054/4885RORC 211/4885
US-20150148430-A1 2,5-DIALKYL-4-H/HALO/ETHER-PHENOL COMPOUNDS COMT, DDT, TYR TSHR 535/4885TRPA1 1054/4885RORC 211/4885

“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.