SCHEMBL17549452

SCHEMBL17549452

COc1cccc([C@@H](C)C2CC2)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ HPGD P15428 3/20 0.48
▸ ALOX15 P16050 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ ALOX12 P18054 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP2C19 P33261 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TLR2 O60603 1/20 0.41
▸ ERN1 O75460 1/20 0.41
▸ TLR1 Q15399 1/20 0.41
▸ TLR6 Q9Y2C9 1/20 0.41
▸ P4HB P07237 3/20 0.40
▸ TAS1R3 Q7RTX0 1/20 0.40

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
SCHEMBL17537238 1.00 KDM4E (0.48) KDM4EMAPTHPGDALOX15HSD17B10
SCHEMBL17537203 1.00 KDM4E (0.48) KDM4EMAPTHPGDALOX15HSD17B10
SCHEMBL17537082 0.84 GABRA1 (0.54) MAPTHPGDALOX15HSD17B10ALDH1A1
SCHEMBL17565217 0.84 GABRA1 (0.54) MAPTHPGDALOX15HSD17B10ALDH1A1
SCHEMBL17537205 0.84 GABRA1 (0.54) MAPTHPGDALOX15HSD17B10ALDH1A1
SCHEMBL17537206 0.84 GABRA1 (0.54) MAPTHPGDALOX15HSD17B10ALDH1A1
SCHEMBL17537117 0.84 GABRA1 (0.54) MAPTHPGDALOX15HSD17B10ALDH1A1
SCHEMBL17565218 0.84 GABRA1 (0.54) MAPTHPGDALOX15HSD17B10ALDH1A1
SCHEMBL17551713 0.81 DRD2 (0.43) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL17551727 0.81 DRD2 (0.43) KDM4EMAPTHPGDALDH1A1SMN1; SMN2

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 6 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
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
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

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 545/4885HPGD 97/4885

“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.

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