SCHEMBL236446

SCHEMBL236446

CC(C)(C)CC(C)(C)c1cc[c]cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.56
CYP3A4 P08684 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HIF1A Q16665 3/20 0.35
CYP2D6 P10635 2/20 0.35
LMNA P02545 3/20 0.33
GAA P10253 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
MDH1 P40925 1/20 0.33
MDH2 P40926 1/20 0.33
MEN1 O00255 3/20 0.32
USP2 O75604 3/20 0.32
TP53 P04637 3/20 0.32
MAPT P10636 3/20 0.32
SLC6A2 P23975 3/20 0.32
SLC6A4 P31645 3/20 0.32
SLC6A3 Q01959 3/20 0.32
KMT2A Q03164 3/20 0.32
KCNH2 Q12809 3/20 0.32
ESR1 P03372 3/20 0.32

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
Hydrogen Sulfide SCHEMBL28414616 0.96 SHBG (0.52) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL8371758 0.89 SHBG (0.45) SHBGCYP3A4SMN1; SMN2TAAR1
SCHEMBL15266429 0.80 SHBG (0.36) SHBGCYP3A4SMN1; SMN2TAAR1MAPT
SCHEMBL578291 0.78 NPC1 (0.44) SMN1; SMN2LMNATAAR1MAPTMAPK1
Water SCHEMBL28217447 0.78 SHBG (0.58) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL10650836 0.77 CYP3A4 (0.54) SHBGCYP3A4SMN1; SMN2HIF1ACYP2D6
SCHEMBL21684968 0.76 TAAR1 (0.33) SHBGTAAR1ESR1ESR2
SCHEMBL1032610 0.76 TAAR1 (0.33) SHBGTAAR1ESR1ESR2
SCHEMBL16035570 0.76 TAAR1 (0.33) SHBGTAAR1ESR1ESR2
SCHEMBL317457 0.76 CNR1 (0.38) SHBGCYP3A4SMN1; SMN2TAAR1ESR1

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 1262 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113493870-B Composite flocculant for ion type rare earth enrichment and enrichment method 福建省长汀金龙稀土有限公司 2023-04-07 CN claimed
CN-112830989-B Long-chain branched ethylene propylene rubber and preparation method thereof 北京引发科技有限公司 2022-07-29 CN claimed
CN-113493870-A Composite flocculant for ion type rare earth enrichment and enrichment method 厦门钨业股份有限公司 2021-10-12 CN claimed
CN-112830989-A Long-chain branched ethylene propylene rubber and preparation method thereof 北京引发科技有限公司 2021-05-25 CN claimed
US-20200276315-A1 POVIDONE-IODINE TOPICAL COMPOSITION JAMES D HOSLER (US) 2020-09-03 US claimed
EP-2838977-B1 A METHOD TO TREAT FLUSHING LIQUOR SYSTEMS IN COKE PLANTS BL TECHNOLOGIES INC (US) 2019-10-02 EP claimed
EP-3095469-B1 PROCESS FOR BONE TISSUE DECELLULARIZATION INCI ILYAS (US) 2019-09-11 EP claimed
CN-110041732-A Leather acid blue dyestuff and preparation method thereof 天津市宏津盛化工有限公司 2019-07-23 CN claimed
EP-2773201-B1 IMPROVED COMPOSITIONS COMPRISING POVIDONE-IODINE COMPLEX MICRODERMIS CORP (US) 2017-12-06 EP claimed
CN-107419098-A A kind of method of extracting rare-earth in sulphuric leachate from Ree-phospeate Minerals 广东省稀有金属研究所 2017-12-01 CN claimed
US-4460602-A ANALGESICS, ANTIINFLAMMATORY AGENTS, DEPILATORIES THE PROCTER & GAMBLE COMPANY (US) 1984-07-17 US claimed
EP-0021626-B1 SALTS OF PHOSPHORIC ACID DIESTERS, THEIR PREPARATION AND USE IN MEMBRANES, THE MEMBRANES AND THEIR USE IN CALCIUM ION DETERMINATION, AND THE ELECTRODES CONTAINING THEM BECKMAN INSTRUMENTS, INC. (US) 1984-01-18 EP claimed
US-4369317-A CALCIUM ION SELECTIVE MEMBRANE BECKMAN INSTRUMENTS, INC. (US) 1983-01-18 US claimed
US-4338440-A CALCIUM ION SELECTIVE MEMBRANE COMPONENT BECKMAN INSTRUMENTS, INC. (US) 1982-07-06 US claimed
US-4271002-A Calcium ion-selective electrodes and membrane for use therein BECKMAN INSTRUMENTS, INC. (US) 1981-06-02 US claimed
EP-0021626-A1 Salts of phosphoric acid diesters, their preparation and use in membranes, the membranes and their use in calcium ion determination, and the electrodes containing them BECKMAN INSTRUMENTS, INC. (US) 1981-01-07 EP claimed
US-4211867-A ANTISECRETORY AGENTS, HYPOGLYCEMIC AGENTS, ANTIARRHYTHMIA AGENTS MCNEIL LABORATORIES, INCORPORATED (US) 1980-07-08 US claimed
US-4093587-A Trisubstituted hydroxyphenylalkanoic acid ester and amide stabilized compositions CIBA-GEIGY CORPORATION (US) 1978-06-06 US claimed
US-3997597-A ANTIOXIDANTS FOR LUBRICANTS AND GREASES MOBIL OIL CORPORATION (US) 1976-12-14 US claimed
US-3984460-A LIGHT AND HEAT STABILIZERS CIBA-GEIGY CORPORATION (US) 1976-10-05 US claimed

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-20200276315-A1 POVIDONE-IODINE TOPICAL COMPOSITION CUTA, POLR1C, POLI SHBG 3370/4885CYP3A4 2060/4885SMN1; SMN2 3115/4885

“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.