SCHEMBL11922982

SCHEMBL11922982

C=CCCCNCCCC

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.62
ALDH1A1 P00352 4/20 0.62
ADH1B P00325 2/20 0.42
ADH1C P00326 2/20 0.42
ADH1A P07327 2/20 0.42
ADH7 P40394 2/20 0.42
CYP2C19 P33261 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GLA P06280 1/20 0.38
CYP1A2 P05177 1/20 0.36
EPHX1 P07099 1/20 0.36
ADH4 P08319 1/20 0.36
KDM1A O60341 2/20 0.34
S1PR2 O95136 1/20 0.33
S1PR4 O95977 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 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
Hydrochloric Acid SCHEMBL22575420 0.98 TSHR (0.59) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL20529606 0.93 TSHR (0.61) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL10574954 0.93 TSHR (0.62) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL3631067 0.91 TSHR (0.65) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL27559835 0.91 TSHR (0.65) TSHRALDH1A1ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL22771789 0.91 TSHR (0.59) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL21568894 0.91 TSHR (0.65) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL9886738 0.91 TSHR (0.65) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL22157507 0.91 TSHR (0.65) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL616197 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220134131-A1 ENERGY AUGMENTATION STRUCTURES FOR MEASURING AND THERAPEUTIC USES IMMUNOLIGHT, LLC (US) 2022-05-05 US disclosed
EP-3884019-A1 HOME CARE COMPOSITIONS Colgate-Palmolive Company (US) 2021-09-29 EP disclosed
CN-113227340-A Home care compositions 高露洁-棕榄公司 2021-08-06 CN disclosed
US-11008533-B2 Home care compositions COLGATE-PALMOLIVE COMPANY (US) 2021-05-18 US disclosed
US-20200208081-A1 HOME CARE COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2020-07-02 US disclosed
WO-2020139335-A1 HOME CARE COMPOSITIONS COLGATE-PALMOLIVE COMPANY (US) 2020-07-02 WO disclosed
US-8236965-B2 Benzimidazole derivatives and their use as a medicament IPSEN PHARMA S.A.S. (FR) 2012-08-07 US disclosed
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament SOCIETE DE CONSEILS DE RECHERECHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2009-07-02 US disclosed
US-7495110-B2 Benzimidazole derivatives and their use as GnRH antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-02-24 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 (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-20220134131-A1 ENERGY AUGMENTATION STRUCTURES FOR MEASURING AND THERAPEUTIC USES GFM1, ETFA, TFAM TSHR 1596/4885ALDH1A1 947/4885ADH1B 60/4885
US-20090170922-A1 Benzimidazole derivatives and their use as a medicament GNRHR, FSHR, KISS1R TSHR 64/4885ALDH1A1 2294/4885ADH1B 3229/4885

“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.