SCHEMBL19749942

SCHEMBL19749942

CCCCNCCCC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2C19 P33261 2/20 0.39
MEN1 O00255 1/20 0.39
GLA P06280 1/20 0.39
KMT2A Q03164 1/20 0.39
ADH1B P00325 2/20 0.39
ADH1C P00326 2/20 0.39
ADH1A P07327 2/20 0.39
ADH7 P40394 2/20 0.39
CYP1A2 P05177 1/20 0.38
LMNA P02545 1/20 0.37
S1PR2 O95136 5/20 0.34
S1PR4 O95977 5/20 0.34
S1PR1 P21453 5/20 0.34
S1PR3 Q99500 5/20 0.34
S1PR5 Q9H228 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL17831473 0.97 TSHR (0.50) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL13770554 0.92 TSHR (0.65) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL10181340 0.90 TSHR (0.62) TSHRALDH1A1CYP2C19ADH1BADH1C
SCHEMBL22109451 0.90 TSHR (0.62) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL12011756 0.90 TSHR (0.46) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL864676 0.90 TSHR (0.52) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL2397649 0.89 CYP2C19 (0.40) TSHRALDH1A1CYP2C19MEN1GLA
Hydrochloric Acid SCHEMBL4308486 0.87 TSHR (0.50) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL19504379 0.86 CYP2C19 (0.38) TSHRALDH1A1CYP2C19MEN1GLA
SCHEMBL13649902 0.83 CYP2C19 (0.36) TSHRALDH1A1CYP2C19MEN1GLA

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-11325111-B2 Catalysts and methods of making the same EXXONMOBIL RESEARCH & ENGINEERING COMPANY (US) 2022-05-10 US disclosed
US-11111352-B2 Methods of producing organosilica materials and uses thereof EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2021-09-07 US disclosed
US-20190194414-A1 METHODS OF PRODUCING ORGANOSILICA MATERIALS AND USES THEREOF EXXONMOBIL RES & ENG CO (US) 2019-06-27 US disclosed
US-20190105647-A1 CATALYSTS AND METHODS OF MAKING THE SAME EXXONMOBIL RES & ENG CO (US) 2019-04-11 US disclosed
US-9850251-B2 Imidazole derivative used as antiviral agent and use therof in preparation of medicament SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2017-12-26 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 (2 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-11325111-B2 Catalysts and methods of making the same CAT, STOM, SOD1 TSHR 4489/4885ALDH1A1 3376/4885CYP2C19 3414/4885
US-20190105647-A1 CATALYSTS AND METHODS OF MAKING THE SAME CAT, STOM, SOD1 TSHR 4489/4885ALDH1A1 3376/4885CYP2C19 3414/4885

“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.