SCHEMBL4569115

SCHEMBL4569115

CCCOc1cccc(OCCN)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.57
KMT2A Q03164 1/20 0.54
TSHR P16473 1/20 0.51
LTA4H P09960 1/20 0.50
PLA2G2A P14555 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
DHFR P00374 1/20 0.46
HTR1A P08908 1/20 0.45
HTR1B P28222 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL19291701 0.90 TSHR (0.59) TAAR1KMT2ATSHRLTA4HPLA2G2A
1,3-Dipropoxybenzene SCHEMBL73716 0.89 KMT2A (0.63) KMT2ATSHRLTA4HGPBAR1CYSLTR1
SCHEMBL9107098 0.89 TAAR1 (0.70) TAAR1TSHRLTA4HPLA2G2AKDM4E
SCHEMBL2206811 0.89 TSHR (0.67) TAAR1KMT2ATSHRLTA4HGPBAR1
SCHEMBL10848210 0.88 TP53 (0.60) TAAR1KMT2ATSHRLTA4HPLA2G2A
SCHEMBL19291772 0.87 TSHR (0.70) TAAR1TSHRLTA4HGPBAR1DHFR
SCHEMBL15922730 0.87 TSHR (0.70) TAAR1TSHRLTA4HGPBAR1DHFR
SCHEMBL4542738 0.84 MAPK1 (0.61) TAAR1KMT2ATSHRCYP3A4CYP1A2
SCHEMBL31447135 0.84 MAPK1 (0.61) TAAR1KMT2ATSHRCYP3A4CYP1A2
1-Ethoxy-3-Propoxybenzene SCHEMBL3459404 0.83 MAPK1 (0.59) KMT2ATSHRLTA4HGPBAR1CYSLTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348452-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-11-02 US disclosed
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2023-07-13 US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2017-02-23 US disclosed
US-9458088-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2016-10-04 US disclosed
US-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2015-08-27 US disclosed
US-9079825-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-07-14 US disclosed
US-8993807-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-31 US disclosed
US-8981153-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2015-03-17 US disclosed
US-8829244-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2014-09-09 US disclosed
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA, INC. (US) 2013-08-01 US disclosed
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-08-23 US disclosed
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-24 US disclosed
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ACUCELA INC. (US) 2012-05-17 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 (10 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-20150239836-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1482/4885KMT2A 3103/4885TSHR 2964/4885
US-20120122938-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TAAR1 1482/4885KMT2A 3103/4885TSHR 2964/4885
US-20230218549-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1463/4885KMT2A 3008/4885TSHR 2971/4885
US-20150239825-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1482/4885KMT2A 3103/4885TSHR 2964/4885
US-20230348452-A1 COMPOUNDS AND USES THEREOF VHL, CLN6, BRCA1 TAAR1 4530/4885KMT2A 927/4885TSHR 4245/4885
US-20130197096-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1482/4885KMT2A 3103/4885TSHR 2964/4885
US-20120214852-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TAAR1 1482/4885KMT2A 3103/4885TSHR 2964/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1482/4885KMT2A 3103/4885TSHR 2964/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER TAAR1 1482/4885KMT2A 3103/4885TSHR 2964/4885
US-20120129894-A1 Alkoxy Compounds for Disease Treatment ALDH1A2, CLN6, AGER TAAR1 1482/4885KMT2A 3103/4885TSHR 2964/4885

“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.