SCHEMBL14198035

SCHEMBL14198035

COc1cc(C=C(C)C)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ TUBB1 Q9H4B7 11/20 0.56
▸ CYP3A4 P08684 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ CYP1A1 P04798 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP1B1 Q16678 1/20 0.52
▸ HPGD P15428 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TUBB4A P04350 6/20 0.50
▸ TUBB P07437 6/20 0.50
▸ TUBA3C P0DPH7 6/20 0.50
▸ TUBA1B P68363 6/20 0.50
▸ TUBA4A P68366 6/20 0.50
▸ TUBB4B P68371 6/20 0.50

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
SCHEMBL14173721 0.83 MAPT (0.59) GAAHTTTUBB1CYP3A4MAPT
SCHEMBL31528128 0.81 AMY1A (0.45) GAAHTTTUBB1CYP3A4MAPT
SCHEMBL9100974 0.80 GAA (0.67) GAAHTTTUBB1MAPTCYP1A1
SCHEMBL28310815 0.79 TUBB1 (0.57) GAAHTTTUBB1HPGDKDM4E
SCHEMBL19328294 0.79 TUBB1 (0.57) GAAHTTTUBB1HPGDKDM4E
SCHEMBL28278744 0.77 TUBB1 (0.48) GAAHTTTUBB1CYP3A4MAPT
SCHEMBL6197316 0.77 CYP3A4 (0.56) GAAHTTTUBB1CYP3A4MAPT
SCHEMBL13370881 0.77 GAA (0.68) GAATUBB1CYP1A1CYP1A2CYP1B1
SCHEMBL4608533 0.77 CYP1A1 (0.79) GAAHTTTUBB1CYP1A1CYP1A2
SCHEMBL4608535 0.77 CYP1A1 (0.79) GAAHTTTUBB1CYP1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220002663-A1 SELECTIVE SALMONELLA OR E. COLI CULTIVATION METHOD, COMPOSITIONS AND USES Solus Scientific Solutions Ltd (GB) 2022-01-06 — — US disclosed
US-20200399220-A1 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACTIVITY AND USES THEREOF KIAKOS KONSTANTINOS (AT) 2020-12-24 — — US disclosed
US-20160310528-A1 Castration-Resistant Prostate Cancer NUTECH VENTURES 2016-10-27 — — US disclosed
US-20080096894-A1 Anti-Bacterial Compounds ASTON UNIVERSITY (GB) 2008-04-24 — — US disclosed
US-20080096894-A1 Anti-Bacterial Compounds ASTON UNIVERSITY (GB) 2008-04-24 — — 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 (3 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-20160310528-A1 Castration-Resistant Prostate Cancer UGDH, G6PD, DPYD GAA 241/4885HTT 4119/4885TUBB1 1509/4885
US-20080096894-A1 Anti-Bacterial Compounds MRPL21, PGLS, FOSB GAA 135/4885HTT 4341/4885TUBB1 302/4885
US-20200399220-A1 3,5-DIARYLIDENYL-N-SUBSTITUTED-PIPERID-4-ONE-DERIVED INHIBITORS OF STAT3 PATHWAY ACTIVITY AND USES THEREOF STAT3, JAK2, STAT6 GAA 4132/4885HTT 4103/4885TUBB1 1514/4885

“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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