SCHEMBL9908787

SCHEMBL9908787

C=CC(C)c1cccc(C)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
GABRA1 P14867 5/20 0.43
GABRB2 P47870 4/20 0.43
HPGD P15428 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 2/20 0.43
LMNA P02545 2/20 0.43
TRPA1 O75762 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
TSHR P16473 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL17515123 0.82 GABRA1 (0.68) ALDH1A1GABRA1GABRB2HPGDCYP3A4
SCHEMBL17533288 0.82 GABRA1 (0.68) ALDH1A1GABRA1GABRB2HPGDCYP3A4
SCHEMBL251366 0.82 GABRA1 (0.68) ALDH1A1GABRA1GABRB2HPGDCYP3A4
SCHEMBL2542973 0.81 ALDH1A1 (0.48) ALDH1A1GABRA1GABRB2HPGDCYP3A4
SCHEMBL9835251 0.80 ADRA2A (0.42) ALDH1A1GABRA1GABRB2HPGDCYP3A4
SCHEMBL11463024 0.79 ESR1 (0.46) ALDH1A1GABRA1GABRB2TSHRCA1
SCHEMBL10410201 0.79 ESR1 (0.46) ALDH1A1GABRA1GABRB2TSHRCA1
SCHEMBL7645238 0.79 ALDH1A1 (0.46) ALDH1A1GABRA1GABRB2HPGDCYP3A4
SCHEMBL7559113 0.79 GABRA1 (0.44) ALDH1A1GABRA1GABRB2HPGDCYP3A4
SCHEMBL99348 0.77 GABRA1 (0.73) ALDH1A1GABRA1GABRB2HPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9249106-B2 Substituted hydrazide compounds and use thereof SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2016-02-02 US disclosed
US-9249106-B2 Substituted hydrazide compounds and use thereof SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2016-02-02 US disclosed
EP-2468730-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND APPLICATION THEREOF Shenyang J & Health Pharmaceutical Co., Ltd. (CN) 2012-06-27 EP disclosed
US-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2012-06-07 US disclosed
US-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SHENYANG J & HEALTH PHARMACEUTICAL CO., LTD. (CN) 2012-06-07 US disclosed
US-4465855-A ANTIREUMATIC & ANTIINFLAMMATORIES CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT (HU) 1984-08-14 US disclosed
US-4385004-A Esters of ortho-allylphenol useful for the preparation of arylacetic acid derivatives CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1983-05-24 US disclosed
US-4317920-A ANTIRHEUMATIC AGENTS, ANTIINFLAMMATORY AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-03-02 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-20120142921-A1 SUBSTITUTED HYDRAZIDE COMPOUNDS AND USE THEREOF SLC5A1, VHL, AKR1A1 ALDH1A1 32/4885GABRA1 2560/4885GABRB2 3580/4885

“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.