SCHEMBL17537239

SCHEMBL17537239

COc1cccc(C(C)(O)C2CC2)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
TP53 P04637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAP3K14 Q99558 1/20 0.42
TLR2 O60603 1/20 0.40
ERN1 O75460 1/20 0.40
TLR1 Q15399 1/20 0.40
TLR6 Q9Y2C9 1/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 1/20 0.39
IDO1 P14902 1/20 0.37

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
SCHEMBL19264624 0.78 KDM4E (0.44) KDM4EMAPTCYP3A4TP53ALDH1A1
SCHEMBL295470 0.77 CA2 (0.64) KDM4EMAPTCYP3A4TP53ALDH1A1
SCHEMBL29369061 0.77 CA2 (0.64) KDM4EMAPTCYP3A4TP53ALDH1A1
SCHEMBL17537184 0.77 CA2 (0.39) ALDH1A1ALOX12CA2TSHR
SCHEMBL17537237 0.74 GABRA1 (0.50) CYP3A4ALDH1A1LMNAALOX12HPGD
SCHEMBL17942478 0.73 MAPT (0.50) KDM4EMAPTCYP3A4TP53ALDH1A1
SCHEMBL17551788 0.73 MAP3K14 (0.35) MAP3K14CA2CA1
SCHEMBL17537130 0.72 CA2 (0.35) CA2
SCHEMBL17578959 0.72 ALDH1A1 (0.54) KDM4EMAPTCYP3A4ALDH1A1LMNA
SCHEMBL17537157 0.72 ALDH1A1 (0.54) KDM4EMAPTCYP3A4ALDH1A1LMNA

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
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
CN-104507899-A Phenol derivative, preparation method and medical application thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2015-04-08 CN 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 KDM4E 1414/4885MAPT 545/4885CYP3A4 24/4885

“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.