SCHEMBL118255

SCHEMBL118255

CC(C)(C)CCc1ccccc1O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
HSPA5 P11021 1/20 0.50
HTR1A P08908 1/20 0.48
MPO P05164 4/20 0.47
TSHR P16473 2/20 0.45
CYP2D6 P10635 1/20 0.45
HIF1A Q16665 1/20 0.45
SLC6A4 P31645 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
AKR1B1 P15121 1/20 0.43
IDO1 P14902 2/20 0.42
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA9 Q16790 1/20 0.41
KEAP1 Q14145 1/20 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
SCHEMBL29258034 0.86 MPO (0.49) TAAR1HSPA5HTR1AMPOTSHR
SCHEMBL8940085 0.85 TAAR1 (0.52) TAAR1HSPA5HTR1AMPOTSHR
SCHEMBL31405531 0.84 MGLL (0.51) TAAR1HSPA5HTR1AMPOSLC6A4
SCHEMBL10442033 0.83 TAAR1 (0.55) TAAR1HSPA5HTR1AMPOTSHR
SCHEMBL4779473 0.80 TSHR (0.50) TAAR1HSPA5HTR1AMPOTSHR
SCHEMBL430926 0.80 GABRA1 (0.56) CA2ALDH1A1
SCHEMBL18699330 0.79 TAAR1 (0.46) TAAR1HSPA5HTR1AMPOTSHR
SCHEMBL27873337 0.79 AKR1B1 (0.50) TAAR1HSPA5HTR1AMPOHIF1A
SCHEMBL7117302 0.79 MPO (0.49) TAAR1HSPA5HTR1AMPOCYP2D6
Ethane SCHEMBL10694585 0.79 TAAR1 (0.65) TAAR1HSPA5HTR1AMPOTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113698278-B Method for extracting 3, 5-xylenol from 3, 5-xylenol/m-p-ethylphenol 盐城工学院 2022-08-23 CN claimed
CN-113698278-A Method for extracting 3, 5-xylenol from 3, 5-xylenol/m-p-ethylphenol 盐城工学院 2021-11-26 CN claimed
CN-113698278-B Method for extracting 3, 5-xylenol from 3, 5-xylenol/m-p-ethylphenol 盐城工学院 2022-08-23 CN disclosed
CN-113698279-B Method for separating and extracting 3, 5-xylenol from industrial xylenol 盐城工学院 2022-08-23 CN disclosed
CN-113698278-A Method for extracting 3, 5-xylenol from 3, 5-xylenol/m-p-ethylphenol 盐城工学院 2021-11-26 CN disclosed
CN-113698279-A Method for separating and extracting 3, 5-xylenol from industrial xylenol 盐城工学院 2021-11-26 CN disclosed
US-10197914-B2 Positive photosensitive resin composition, photo-curable dry film and method for producing the same, patterning process, and laminate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-02-05 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170255097-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, PHOTO-CURABLE DRY FILM AND METHOD FOR PRODUCING THE SAME, PATTERNING PROCESS, AND LAMINATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-09-07 US disclosed
US-20170255097-A1 POSITIVE PHOTOSENSITIVE RESIN COMPOSITION, PHOTO-CURABLE DRY FILM AND METHOD FOR PRODUCING THE SAME, PATTERNING PROCESS, AND LAMINATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-09-07 US disclosed
US-20130023556-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-01-24 US disclosed
US-8329907-B2 Autotaxin inhibitors MERCK PATENT GMBH (DE) 2012-12-11 US disclosed
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 US disclosed
US-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 US disclosed
US-7709647-B2 Tetrahydroquinoline cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-04 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-08-21 US disclosed
EP-1754999-A2 Positive resist composition and method of pattern formation with the same Fuji Photo Film Co., Ltd. (JP) 2007-02-21 EP disclosed
US-20050215752-A1 (Meth)acrylic esters of polyalkoxylated trimethylolpropane BASF AKTIENGESELLSCHAFT A GERMAN CORPORATION (DE) 2005-09-29 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 TAAR1 2707/4885HSPA5 2996/4885HTR1A 2583/4885
US-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E TAAR1 1752/4885HSPA5 535/4885HTR1A 2034/4885
US-20130023556-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 TAAR1 2707/4885HSPA5 2996/4885HTR1A 2583/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 TAAR1 2885/4885HSPA5 2721/4885HTR1A 4308/4885
US-10197914-B2 Positive photosensitive resin composition, photo-curable dry film and method for producing the same, patterning process, and laminate SUV39H1, JMJD6, EZH1 TAAR1 1235/4885HSPA5 2606/4885HTR1A 2328/4885
US-20080200459-A1 TETRAHYDROQUINOLINE CANNABINOID RECEPTOR MODULATORS CNR1, CNR2, GPR18 TAAR1 188/4885HSPA5 4754/4885HTR1A 96/4885

“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.