SCHEMBL560318

SCHEMBL560318

CC[C@H](C)c1cccc([C@@H](C)CC)c1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.68
GABRA1 P14867 5/20 0.58
GABRB2 P47870 4/20 0.58
GABRG2 P18507 2/20 0.58
GABRB3 P28472 2/20 0.58
HPGD P15428 2/20 0.58
FAAH O00519 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
LMNA P02545 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
GABRB1 P18505 1/20 0.58
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
HTR2C P28335 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58
HTR2B P41595 1/20 0.58
GABRA2 P47869 1/20 0.58

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
SCHEMBL561299 1.00 TSHR (0.68) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL560346 1.00 TSHR (0.68) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL202738 1.00 TSHR (0.68) TSHRGABRA1GABRB2GABRG2GABRB3
Hydrochloric Acid SCHEMBL7076051 0.98 TSHR (0.65) TSHRGABRA1GABRB2GABRG2GABRB3
Hydrochloric Acid SCHEMBL6039756 0.96 TSHR (0.63) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL248963 0.94 GABRA1 (0.71) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL249795 0.94 GABRA1 (0.71) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL249198 0.94 GABRA1 (0.71) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL2784586 0.89 TSHR (0.73) TSHRGABRA1GABRB2GABRG2GABRB3
SCHEMBL771406 0.87 TSHR (0.59) TSHRGABRA1GABRB2GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110256269-A A kind of water solubility Propofol analog derivative and application thereof 江苏恩华络康药物研发有限公司 2019-09-20 CN disclosed
US-20160089341-A1 METHODS FOR TREATING AND PREVENTING STATUS EPILEPTICUS AND ORGANOPHOSPHATE POISONING UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-03-31 US disclosed
EP-2810927-A1 Therapeutic compounds Sowood Healthcare LLC (US) 2014-12-10 EP disclosed
US-8871815-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2014-10-28 US disclosed
US-20140206773-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2014-07-24 US disclosed
EP-2301908-B1 (-)-stereoisomer of 2,6-di-sec-butylphenol and analogs thereof for promoting antiemetic effect, treatment of nausea and vomiting and treatment of migraine SIGNATURE THERAPEUTICS INC (US) 2014-06-25 EP disclosed
US-8575400-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-11-05 US disclosed
US-20130059919-A1 Therapeutic Compounds SOWOOD HEALTHCARE LLC 2013-03-07 US disclosed
US-8242315-B2 Stereoisomers propofol therapeutic compounds Singature Therapeutics, Inc. (US) 2012-08-14 US disclosed
US-20120035271-A1 Stereoisomers Propofol Therapeutic Compounds SOWOOD HEALTHCARE LLC 2012-02-09 US disclosed
US-8071818-B2 Therapeutic compounds PHARMACOFORE, INC. (US) 2011-12-06 US disclosed
EP-2301908-A1 (-)-stereoisomer of 2,6-di-sec-butylphenol and analogs thereof for promoting antiemetic effect and treatment of nausea and vomiting Pharmacofore, Inc. (US) 2011-03-30 EP disclosed
EP-2292577-A1 (+)-stereoisomer of 2,6-di-sec-butylphenol and analogs thereof Pharmacofore, Inc. (US) 2011-03-09 EP disclosed
US-20100292346-A1 Stereoisomers Propofol Therapeutic Compounds SOWOOD HEALTHCARE LLC 2010-11-18 US disclosed
EP-2146946-B1 (-)- stereoisomer of 2,6-di-sec-butylphenol and analogs thereof PHARMACOFORE INC (US) 2010-11-10 EP disclosed
EP-2146946-A2 STEREOISOMERIC PROPOFOL THERAPEUTIC COMPOUNDS Pharmacofore, Inc. (US) 2010-01-27 EP disclosed
WO-2008141097-A2 STEREOISOMERS PROPOFOL THERAPEUTIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-11-20 WO 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 (4 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-20130059919-A1 Therapeutic Compounds SCN1B, ABCB11, SLC10A1 TSHR 1937/4885GABRA1 253/4885GABRB2 254/4885
US-20100292346-A1 Stereoisomers Propofol Therapeutic Compounds GABRP, OPRM1, OPRD1 TSHR 1929/4885GABRA1 19/4885GABRB2 24/4885
US-20140206773-A1 Therapeutic Compounds OPRM1, OGFR, OPRD1 TSHR 1516/4885GABRA1 122/4885GABRB2 159/4885
US-20120035271-A1 Stereoisomers Propofol Therapeutic Compounds GABRP, OPRM1, OPRD1 TSHR 1929/4885GABRA1 19/4885GABRB2 24/4885

“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.