SCHEMBL1844955

SCHEMBL1844955

CC(Cc1ccccc1)(c1ccccc1)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC6A2 P23975 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP3A4 P08684 2/20 0.40
RECQL P46063 1/20 0.40
TRPA1 O75762 1/20 0.40
MAPK1 P28482 1/20 0.39
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
KIF11 P52732 2/20 0.37
KCNA5 P22460 1/20 0.37
HSP90AA1 P07900 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30471649 0.83 ESR1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A2
SCHEMBL1836839 0.81 ALDH1A1 (0.52) ALDH1A1TSHRTDP1CYP2C9CYP2C19
SCHEMBL7109719 0.81 ALDH1A1 (0.52) ALDH1A1TSHRTDP1CYP2C19TAAR1
SCHEMBL10417846 0.80 TAAR1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A2
SCHEMBL14910579 0.80 TAAR1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19SLC6A2
SCHEMBL30374559 0.80 ESR1 (0.53) ALDH1A1TSHRTDP1CYP2C9LMNA
SCHEMBL8520409 0.78 CYP2C9 (0.48) ALDH1A1TSHRTDP1CYP1A2CYP2C9
SCHEMBL6011986 0.78 ESR1 (0.59) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL29020575 0.78 ESR1 (0.59) ALDH1A1TSHRCYP1A2CYP2C9CYP2C19
SCHEMBL8863024 0.78 CYP2C9 (0.48) ALDH1A1TSHRTDP1CYP1A2CYP2C9

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-116324123-A Hydrophobically modified associative thickener polymer and preparation method and application thereof 赫尔克里士有限公司 2023-06-23 CN disclosed
CN-116324124-A Hydrophobically modified associative thickener polymer and preparation method and application thereof 赫尔克里士有限公司 2023-06-23 CN disclosed
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2322504-B1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2016-09-28 EP disclosed
CN-102105439-B Method for producing N-substituted carbamate and method for producing isocyanate using the N-substituted carbamate ASAHI KASEI CHEMICALS CORP. (JP) 2016-04-20 CN disclosed
US-9249090-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-02 US disclosed
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-02-05 US disclosed
US-8884047-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-11-11 US disclosed
US-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-06-30 US disclosed
CN-102105439-A Method for producing N-substituted carbamate and method for producing isocyanate using the N-substituted carbamate ASAHI KASEI CHEMICALS CORP (JP) 2011-06-22 CN disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed
EP-0485207-B1 Stabilized oil-in-water emulsions RHONE POULENC AGROCHIMIE (FR) 1997-05-28 EP disclosed
US-5254344-A Lipophilic pesticide in organic solvent RHONE-POULENC INC. (US) 1993-10-19 US disclosed
US-5206021-A Storage stability, thermostability RHONE-POULENC AG COMPANY (US) 1993-04-27 US disclosed
EP-0485207-A1 Stabilized oil-in-water emulsions RHONE-POULENC AGROCHIMIE (FR) 1992-05-13 EP disclosed
US-5096711-A Comprising a lipophilic pesticide, solvent, both a hydrophobic and hydrophilic surfactant, a titanium oxide dispersant and water; storage stability; nonmelting solid phase RHONE-POULENC AGROCHIMIE (FR) 1992-03-17 US disclosed
EP-0342134-A1 Pesticidal oil-in-water emulsion, method of using it RHONE-POULENC AGROCHIMIE (FR) 1989-11-15 EP 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-20110160476-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH ALDH1A1 574/4885TSHR 2998/4885TDP1 3561/4885
US-20150038742-A1 N-Substituted Carbamic Acid Ester Production Method and Isocyanate Production Method Using the N-Substituted Carbamic Acid Ester ALKBH3, CPS1, APEH ALDH1A1 574/4885TSHR 2998/4885TDP1 3561/4885

“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.