SCHEMBL17537181

SCHEMBL17537181

CC(C)c1cccc(C(C)C2CC2)c1OCCl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAAH O00519 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
GABRB1 P18505 1/20 0.32
PTGS1 P23219 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2C P28335 1/20 0.32
GABRA5 P31644 1/20 0.32

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
SCHEMBL17537177 1.00 TSHR (0.40) TSHRALOX15HTR1AHTR7GABRA1
SCHEMBL17537100 1.00 TSHR (0.40) TSHRALOX15HTR1AHTR7GABRA1
SCHEMBL17537192 0.95 ALOX15 (0.33) TSHRALOX15
SCHEMBL17537148 0.95 ALOX15 (0.33) TSHRALOX15
SCHEMBL17537147 0.95 ALOX15 (0.33) TSHRALOX15
SCHEMBL17537173 0.95 ALOX15 (0.33) TSHRALOX15
SCHEMBL17537200 0.94 HTR1A (0.35) TSHRALOX15HTR1AHTR7GABRA1
SCHEMBL17598364 0.87 TSHR (0.41) TSHRALOX15HTR1AHTR7GABRA1
SCHEMBL17537170 0.87 TSHR (0.37) TSHR
SCHEMBL17537095 0.87 TSHR (0.37) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2995604-B1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
EP-2995604-B1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO LTD (CN) 2019-07-10 EP disclosed
US-9517988-B2 Phenol derivative and preparation method and use in medicine thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-12-13 US disclosed
US-9517988-B2 Phenol derivative and preparation method and use in medicine thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-12-13 US disclosed
US-9517988-B2 Phenol derivative and preparation method and use in medicine thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-12-13 US disclosed
CN-104507899-B Phenol derivative, preparation method and medical application thereof 四川海思科制药有限公司 2016-11-30 CN disclosed
EP-2995604-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2016-03-16 EP disclosed
EP-2995604-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF Sichuan Haisco Pharmaceutical Co., Ltd. (CN) 2016-03-16 EP disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 US disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 US disclosed
US-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2016-03-03 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 (1 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-20160060197-A1 PHENOL DERIVATIVE AND PREPARATION METHOD AND USE IN MEDICINE THEREOF CYP2D6, CYP2B6, CYP2A6 TSHR 3827/4885ALOX15 1382/4885HTR1A 1508/4885

“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.