SCHEMBL1637985

SCHEMBL1637985

CCOCCN(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
TP53 P04637 1/20 0.38
USP2 O75604 1/20 0.38
F2 P00734 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL9705220 0.83 CHRM2 (0.50) TSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL2572167 0.82 ALOX15 (0.44) ALOX15TAAR1TP53TSHRSMN1; SMN2
SCHEMBL7723639 0.82 ALOX15 (0.37) ALOX15USP2TSHRSMN1; SMN2ADRB2
SCHEMBL11675409 0.81 TSHR (0.50) TAAR1TSHRALDH1A1HTT
SCHEMBL2671430 0.81 USP2 (0.42) CA12CA2CA9TAAR1USP2
SCHEMBL7929587 0.81 HPGD (0.40) ALOX15TAAR1ALDH1A1
SCHEMBL11507896 0.80 ALOX15 (0.44) ALOX15TP53ALDH1A1HTT
SCHEMBL11453787 0.80 ALOX15 (0.43) ALOX15TP53USP2TSHRSMN1; SMN2
SCHEMBL11679757 0.79 TAAR1 (0.47) TAAR1
SCHEMBL9746244 0.79 ADRB2 (0.43) USP2ADRB2ADRB1ALDH1A1

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-10043978-B2 Organic semiconductor formulations FLEXTERRA, INC. (US) 2018-08-07 US disclosed
US-20170012208-A1 ORGANIC SEMICONDUCTOR FORMULATIONS USINVEST LLC 2017-01-12 US disclosed
US-9293711-B2 Organic semiconductor formulations POLYERA CORPORATION (US) 2016-03-22 US disclosed
US-20140042369-A1 Organic Semiconductor Formulations USINVEST LLC 2014-02-13 US disclosed
US-8536242-B2 Photocurable composition SEKISUI CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20110097669-A1 PHOTOCURABLE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2011-04-28 US disclosed
US-6900244-B2 Anilino liver X-receptor modulators PHARMACIA CORPORATION (US) 2005-05-31 US disclosed
US-20040087632-A1 Controlling metabolism of lipids, cholesterol PHARMACIA CORPORATION 2004-05-06 US disclosed
US-4898941-A Process for preparing diphenylalkene derivatives KANZAKI PAPER MANUFACTURING CO., LTD. (JP) 1990-02-06 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-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 ALOX15 177/4885CA12 1344/4885CA2 101/4885
US-20040087632-A1 Controlling metabolism of lipids, cholesterol NR1H2, NR1H3, SREBF1 ALOX15 734/4885CA12 4822/4885CA2 4672/4885

“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.